*HEADER    STRUCTURAL PROTEIN                      16-MAR-04   1SP7              
*TITLE     STRUCTURE OF THE CYS-RICH C-TERMINAL DOMAIN OF HYDRA                  
*TITLE    2 MINICOLLAGEN                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MINI-COLLAGEN;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OCCURS NATURALLY IN HYDRA SP.                               
*KEYWDS    CYSTEINE-RICH, PROLINE-RICH, DISULFIDE BOND                           
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    S.MEIER, E.POKIDYSHEVA, A.G.MILBRADT, C.RENNER,                       
*AUTHOR   2 D.HAUSSINGER, H.P.BACHINGER, L.MORODER, S.GRZESIEK,                  
*AUTHOR   3 T.W.HOLSTEIN, S.OZBEK, J.ENGEL                                       
*REVDAT   1   18-MAY-04 1SP7    0                                                
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assign (resid   11   and name  HN)  (resid      6   and name  HB1 )    4.06158  0.65695  1.512316
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assign (resid   13   and name  HN)  (resid      12   and name  HD2 )    3.54427  1.04656  0.808854
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assign (resid   13   and name  HN)  (resid      11   and name  HA )    4.1495  0.7097  0.9299
assign (resid   13   and name  HN)  (resid      13   and name  HA )    2.82624  0.615744  0.665248
assign (resid   13   and name  HN)  (resid      11   and name  HG2# )    2.77535  0.58521  0.65507
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assign (resid   13   and name  HN)  (resid      11   and name  HG1# )    3.98437  1.31062  0.896874
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assign (resid   14   and name  HN)  (resid      12   and name  HA )    3.69473  0.33684  0.338946
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assign (resid   14   and name  HN)  (resid      11   and name  HG2# )    2.88996  0.653976  0.677992
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assign (resid   2   and name  HN)  (resid      2   and name  HB1 )    3.22368  0.342368  0.384736
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assign (resid   16   and name  HN)  (resid      15   and name  HA )    2.31176  0.251176  0.302352
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assign (resid   19   and name  HN)  (resid      19   and name  HA )    2.81385  0.301385  0.30277
assign (resid   19   and name  HN)  (resid      19   and name  HB2 )    2.72231  0.292231  0.284462
assign (resid   9   and name  HN)  (resid      7   and name  HN )    3.7487  0.29487  0.58974
assign (resid   9   and name  HN)  (resid      11   and name  HG1# )    3.73746  0.293746  1.487492
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assign (resid   9   and name  HN)  (resid      8   and name  HA )    3.13105  0.233105  0.36621
assign (resid   9   and name  HN)  (resid      10   and name  HA )    4.26385  0.346385  0.99277
assign (resid   9   and name  HN)  (resid      8   and name  HB# )    2.83338  0.203338  0.706676
assign (resid   9   and name  HN)  (resid      7   and name  HA )    4.11579  0.331579  0.663158
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assign (resid   9   and name  HN)  (resid      8   and name  HN )    2.6735  0.18735  0.3747
assign (resid   10   and name  HN)  (resid      11   and name  HG1# )    3.64112  0.384112  1.268224
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assign (resid   10   and name  HN)  (resid      11   and name  HN )    3.48636  0.268636  0.437272
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assign (resid   1   and name  HD#)  (resid      1   and name  HA )    3.13734  0.802404  0.727468
assign (resid   1   and name  HB2)  (resid      1   and name  HA )    2.657  0.5142  0.6314
assign (resid   1   and name  HB1)  (resid      1   and name  HA )    2.46036  0.396216  0.592072
assign (resid   2   and name  HB1)  (resid      7   and name  HG2# )    3.15224  0.811344  0.930448
assign (resid   2   and name  HB#)  (resid      7   and name  HG## )    2.80385  0.301155  0.580385
assign (resid   2   and name  HA)  (resid      3   and name  HD2 )    2.47123  0.301369  0.147123
assign (resid   2   and name  HA)  (resid      3   and name  HD1 )    2.21215  0.183645  0.111215
assign (resid   2   and name  HB1)  (resid      18   and name  HB1 )    2.42641  0.287923  0.242641
assign (resid   2   and name  HB#)  (resid      6   and name  HB2 )    3.39701  0.658206  0.379402
assign (resid   3   and name  HG#)  (resid      5   and name  HG2# )    3.09986  0.379916  0.319972
assign (resid   3   and name  HD2)  (resid      6   and name  HB# )    3.02944  0.337664  0.305888
assign (resid   3   and name  HG#)  (resid      5   and name  HG2# )    2.99632  0.317792  0.399264
assign (resid   3   and name  HB#)  (resid      5   and name  HG## )    2.95904  0.295424  0.391808
assign (resid   3   and name  HD2)  (resid      2   and name  HB1 )    2.87417  0.244502  0.574834
assign (resid   3   and name  HA)  (resid      4   and name  HD# )    1.92107  0.072642  0.384214
assign (resid   3   and name  HB#)  (resid      4   and name  HD# )    2.7557  0.57342  0.65114
assign (resid   3   and name  HG#)  (resid      5   and name  HG2# )    2.5247  0.43482  0.70494
assign (resid   3   and name  HD2)  (resid      18   and name  HB# )    3.64791  1.10875  0.829582
assign (resid   3   and name  HG#)  (resid      5   and name  HG## )    2.46485  0.39891  0.59297
assign (resid   3   and name  HA)  (resid      6   and name  HB# )    3.56266  1.0576  1.312532
assign (resid   3   and name  HD2)  (resid      2   and name  HB2 )    3.49692  0.31815  0.499384
assign (resid   3   and name  HB#)  (resid      5   and name  HG## )    3.4568  0.99408  0.79136
assign (resid   3   and name  HD2)  (resid      3   and name  HB# )    3.28836  0.893016  0.757672
assign (resid   3   and name  HD2)  (resid      2   and name  HB1 )    3.18579  0.231474  0.437158
assign (resid   4   and name  HD#)  (resid      7   and name  HG2# )    3.16246  0.817476  1.232492
assign (resid   4   and name  HA)  (resid      7   and name  HG1# )    3.15732  0.814392  0.731464
assign (resid   4   and name  HA)  (resid      7   and name  HG2# )    2.64498  0.506988  0.628996
assign (resid   4   and name  HD#)  (resid      5   and name  HG1# )    3.27696  0.886176  0.755392
assign (resid   5   and name  HA)  (resid      5   and name  HG1# )    2.12762  0.196572  0.925524
assign (resid   5   and name  HN)  (resid      3   and name  HB# )    3.08225  0.76935  0.71645
assign (resid   5   and name  HB)  (resid      5   and name  HG2# )    2.08837  0.173022  0.517674
assign (resid   5   and name  HN)  (resid      3   and name  HG# )    2.8987  0.65922  0.67974
assign (resid   5   and name  HN)  (resid      5   and name  HG1# )    1.97107  0.102642  0.694214
assign (resid   5   and name  HB)  (resid      5   and name  HG2# )    1.96918  0.101508  0.493836
assign (resid   5   and name  HN)  (resid      4   and name  HA )    2.87153  0.642918  0.674306
assign (resid   5   and name  HN)  (resid      4   and name  HG# )    2.84113  0.624678  0.668226
assign (resid   5   and name  HA)  (resid      8   and name  HB# )    2.66785  0.52071  0.63357
assign (resid   5   and name  HN)  (resid      4   and name  HD# )    2.56296  0.457776  0.612592
assign (resid   5   and name  HN)  (resid      3   and name  HG# )    2.54558  0.447348  0.809116
assign (resid   5   and name  HN)  (resid      8   and name  HB# )    3.49276  1.01566  1.498552
assign (resid   5   and name  HN)  (resid      3   and name  HA )    3.33247  0.919482  0.766494
assign (resid   5   and name  HA)  (resid      11   and name  HG2# )    3.32214  0.913284  1.364428
assign (resid   5   and name  HB)  (resid      11   and name  HG2# )    3.28363  0.890178  0.756726
assign (resid   5   and name  HN)  (resid      7   and name  HN )    3.26712  0.880272  0.753424
assign (resid   5   and name  HN)  (resid      4   and name  HB# )    3.26195  0.87717  0.75239
assign (resid   5   and name  HN)  (resid      5   and name  HA )    2.2012  0.24072  0.54024
assign (resid   5   and name  HN)  (resid      5   and name  HG2# )    2.18448  0.230688  0.536896
assign (resid   5   and name  HA)  (resid      5   and name  HG1# )    2.1664  0.21984  0.53328
assign (resid   5   and name  HA)  (resid      9   and name  HB# )    4.03906  0.84344  0.907812
assign (resid   6   and name  HN)  (resid      3   and name  HB# )    3.16246  0.817476  0.732492
assign (resid   6   and name  HN)  (resid      5   and name  HA )    3.11355  0.48813  0.42271
assign (resid   6   and name  HN)  (resid      6   and name  HB# )    3.10438  0.782628  0.720876
assign (resid   6   and name  HN)  (resid      5   and name  HG1# )    2.91591  0.669546  1.183182
assign (resid   6   and name  HN)  (resid      6   and name  HA )    2.85605  0.63363  0.67121
assign (resid   6   and name  HN)  (resid      7   and name  HA )    4.06543  1.35926  1.113086
assign (resid   6   and name  HN)  (resid      6   and name  HB# )    2.56774  0.460644  0.613548
assign (resid   6   and name  HN)  (resid      5   and name  HG2# )    2.50496  0.422976  0.900992
assign (resid   6   and name  HN)  (resid      4   and name  HA )    3.65072  0.51043  0.830144
assign (resid   6   and name  HN)  (resid      3   and name  HG# )    3.6465  1.1079  0.8293
assign (resid   6   and name  HN)  (resid      3   and name  HB# )    3.61394  1.08836  0.822788
assign (resid   6   and name  HN)  (resid      5   and name  HN )    2.4137  0.06822  0.58274
assign (resid   6   and name  HN)  (resid      5   and name  HB )    3.4685  1.0011  0.7937
assign (resid   6   and name  HN)  (resid      7   and name  HN )    2.77476  0.176856  0.268952
assign (resid   6   and name  HA)  (resid      9   and name  HB# )    3.30706  0.904236  0.761412
assign (resid   6   and name  HN)  (resid      7   and name  HG2# )    3.28296  0.889776  0.756592
assign (resid   7   and name  HN)  (resid      7   and name  HB )    2.14418  0.206508  1.228836
assign (resid   7   and name  HA)  (resid      7   and name  HG2# )    2.12441  0.194646  0.424882
assign (resid   7   and name  HA)  (resid      7   and name  HG1# )    2.08556  0.171336  0.417112
assign (resid   7   and name  HN)  (resid      5   and name  HA )    3.03329  0.339974  1.206658
assign (resid   7   and name  HN)  (resid      4   and name  HA )    2.97222  0.303332  0.594444
assign (resid   7   and name  HN)  (resid      7   and name  HG2# )    1.98859  0.113154  0.497718
assign (resid   7   and name  HN)  (resid      6   and name  HA )    2.91299  0.167794  0.682598
assign (resid   7   and name  HN)  (resid      6   and name  HB2 )    2.79505  0.19703  0.55901
assign (resid   7   and name  HN)  (resid      20   and name  HD# )    3.98968  1.31381  0.897936
assign (resid   7   and name  HN)  (resid      8   and name  HA )    3.87368  0.44421  1.274736
assign (resid   7   and name  HN)  (resid      5   and name  HG## )    3.60352  1.08211  0.820704
assign (resid   7   and name  HN)  (resid      7   and name  HG1# )    2.33845  0.32307  1.56769
assign (resid   7   and name  HA)  (resid      8   and name  HB# )    3.40475  0.96285  1.38095
assign (resid   7   and name  HN)  (resid      7   and name  HA )    2.22278  0.253668  0.544556
assign (resid   7   and name  HN)  (resid      6   and name  HB1 )    3.26131  0.476786  0.752262
assign (resid   7   and name  HN)  (resid      8   and name  HB# )    3.22318  0.853908  1.144636
assign (resid   7   and name  HN)  (resid      7   and name  HB )    2.14418  0.206508  0.528836
assign (resid   8   and name  HN)  (resid      7   and name  HG1# )    2.96558  0.699348  0.693116
assign (resid   8   and name  HN)  (resid      8   and name  HA )    2.69723  0.538338  0.639446
assign (resid   8   and name  HN)  (resid      7   and name  HN )    2.66162  0.116972  0.332324
assign (resid   8   and name  HN)  (resid      7   and name  HA )    2.58245  0.26947  0.91649
assign (resid   8   and name  HN)  (resid      6   and name  HN )    3.73806  0.36284  0.647612
assign (resid   8   and name  HN)  (resid      5   and name  HA )    3.58207  0.36924  0.216414
assign (resid   8   and name  HN)  (resid      8   and name  HB# )    2.42079  0.372474  0.584158
assign (resid   8   and name  HN)  (resid      7   and name  HB )    3.2437  0.86622  0.74874
assign (resid   8   and name  HN)  (resid      7   and name  HG2# )    3.20072  0.840432  0.840144
assign (resid   9   and name  HN)  (resid      5   and name  HG## )    3.14722  0.308332  1.529444
assign (resid   9   and name  HN)  (resid      9   and name  HG# )    3.02186  0.733116  0.704372
assign (resid   9   and name  HN)  (resid      6   and name  HA )    2.99988  0.319928  0.599976
assign (resid   9   and name  HN)  (resid      5   and name  HA )    2.96889  0.201334  0.993778
assign (resid   9   and name  HN)  (resid      5   and name  HG2# )    2.91591  0.669546  1.683182
assign (resid   9   and name  HE2#)  (resid      9   and name  HG# )    2.87153  0.942918  0.874306
assign (resid   9   and name  HB#)  (resid      5   and name  HG## )    2.82675  0.91605  1.46535
assign (resid   9   and name  HB#)  (resid      11   and name  HG2# )    2.71814  0.550884  1.343628
assign (resid   9   and name  HN)  (resid      20   and name  HD# )    3.98706  1.31224  0.897412
assign (resid   9   and name  HN)  (resid      11   and name  HG2# )    3.95156  0.79094  1.390312
assign (resid   9   and name  HN)  (resid      11   and name  HN )    3.80541  1.20325  1.361082
assign (resid   9   and name  HE2#)  (resid      9   and name  HA )    3.79605  0.99763  1.35921
assign (resid   9   and name  HE2#)  (resid      5   and name  HG2# )    3.7654  0.97924  1.315308
assign (resid   9   and name  HN)  (resid      9   and name  HB# )    2.53554  0.441324  0.607108
assign (resid   9   and name  HN)  (resid      8   and name  HN )    2.83116  0.238696  0.606232
assign (resid   9   and name  HN)  (resid      7   and name  HG2# )    3.6903  1.13418  1.43806
assign (resid   9   and name  HE2#)  (resid      9   and name  HG# )    3.61525  1.28915  1.12305
assign (resid   9   and name  HE2#)  (resid      8   and name  HB# )    3.59079  1.17447  1.318158
assign (resid   9   and name  HE2#)  (resid      9   and name  HG# )    3.54283  1.2457  1.108566
assign (resid   9   and name  HE2#)  (resid     11   and name  HG1# )    4.54283  1.2457  1.408566
assign (resid   9   and name  HB#)  (resid      11   and name  HG1# )    2.39035  0.35421  1.37807
assign (resid   9   and name  HN)  (resid      8   and name  HB# )    2.32559  0.315354  0.565118
assign (resid   9   and name  HN)  (resid      9   and name  HA )    2.31089  0.306534  0.562178
assign (resid   9   and name  HN)  (resid      7   and name  HA )    4.00646  0.241292  0.400323
assign (resid   9   and name  HE2#)  (resid      5   and name  HG1# )    3.35381  1.132286  1.170762
assign (resid   9   and name  HN)  (resid      9   and name  HG1 )    3.34531  0.427186  0.969062
assign (resid   9   and name  HN)  (resid      7   and name  HN )    3.26388  0.878328  0.752776
assign (resid   9   and name  HE2#)  (resid      8   and name  HB# )    3.2437  1.16622  0.94874
assign (resid   10   and name  HN)  (resid      9   and name  HA )    2.15106  0.210636  0.730212
assign (resid   10   and name  HN)  (resid      9   and name  HB2 )    3.09986  0.779916  0.819972
assign (resid   10   and name  HN)  (resid      10   and name  HB1 )    2.77593  0.285558  0.255186
assign (resid   10   and name  HN)  (resid      9   and name  HG# )    3.88885  0.65331  0.87777
assign (resid   10   and name  HN)  (resid      10   and name  HB2 )    2.63477  0.200862  0.226954
assign (resid   10   and name  HN)  (resid      9   and name  HG# )    3.82072  1.21243  1.264144
assign (resid   10   and name  HN)  (resid      11   and name  HG2# )    3.72816  1.1569  1.245632
assign (resid   10   and name  HN)  (resid      9   and name  HN )    3.47346  0.30408  0.794692
assign (resid   10   and name  HN)  (resid      11   and name  HG1# )    3.36805  0.94083  1.27361
assign (resid   10   and name  HA)  (resid      14   and name  HB# )    3.34761  0.928566  0.769522
assign (resid   11   and name  HB)  (resid      11   and name  HG1# )    2.15456  0.212736  0.530912
assign (resid   11   and name  HG2#)  (resid      14   and name  HB# )    3.04107  0.744642  1.108214
assign (resid   11   and name  HN)  (resid      11   and name  HG1# )    2.06394  0.158364  0.812788
assign (resid   11   and name  HB)  (resid      11   and name  HG2# )    2.0438  0.14628  0.50876
assign (resid   11   and name  HA)  (resid      12   and name  HD# )    1.96546  0.099276  0.493092
assign (resid   11   and name  HN)  (resid      14   and name  HB2 )    2.86372  0.638232  0.672744
assign (resid   11   and name  HN)  (resid      11   and name  HB )    2.85102  0.630612  0.670204
assign (resid   11   and name  HN)  (resid      19   and name  HB2 )    3.9565  0.8939  1.6913
assign (resid   11   and name  HN)  (resid      11   and name  HG2# )    1.81439  0.008634  0.462878
assign (resid   11   and name  HN)  (resid      9   and name  HB1 )    3.87154  0.74292  0.774308
assign (resid   11   and name  HN)  (resid      9   and name  HA )    3.76892  1.18135  1.453784
assign (resid   11   and name  HN)  (resid      12   and name  HD# )    3.69951  1.13971  0.839902
assign (resid   11   and name  HN)  (resid      9   and name  HG# )    3.67381  0.62429  1.634762
assign (resid   11   and name  HN)  (resid      14   and name  HB1 )    3.55675  1.05405  0.81135
assign (resid   11   and name  HB)  (resid      12   and name  HD1 )    2.41841  0.371046  0.683682
assign (resid   11   and name  HN)  (resid      12   and name  HD# )    3.47346  1.00408  0.794692
assign (resid   11   and name  HN)  (resid      10   and name  HN )    3.43421  0.980526  0.786842
assign (resid   11   and name  HN)  (resid      10   and name  HB# )    3.42149  0.972894  0.784298
assign (resid   11   and name  HN)  (resid      5   and name  HG## )    4.00945  0.44189  0.800473
assign (resid   11   and name  HN)  (resid      11   and name  HA )    2.31032  0.306192  0.562064
assign (resid   11   and name  HA)  (resid      12   and name  HD# )    2.30576  0.303456  0.561152
assign (resid   11   and name  HN)  (resid      6   and name  HA )    3.85542  0.411084  0.292771
assign (resid   11   and name  HN)  (resid      9   and name  HB2 )    3.24432  0.866592  0.748864
assign (resid   11   and name  HB)  (resid      12   and name  HD2 )    2.19075  0.23445  0.53815
assign (resid   12   and name  HD#)  (resid      11   and name  HG2# )    2.99632  0.717792  0.699264
assign (resid   12   and name  HD#)  (resid      11   and name  HG2# )    2.79943  0.599658  0.659886
assign (resid   12   and name  HD#)  (resid      11   and name  HG1# )    2.66162  0.516972  0.632324
assign (resid   12   and name  HD#)  (resid      13   and name  HG2# )    3.35459  0.932754  0.770918
assign (resid   12   and name  HD#)  (resid      12   and name  HG# )    2.26186  0.277116  0.552372
assign (resid   13   and name  HN)  (resid      11   and name  HG2# )    2.82911  0.617466  0.665822
assign (resid   13   and name  HN)  (resid      13   and name  HA )    2.82675  0.61605  0.66535
assign (resid   13   and name  HN)  (resid      13   and name  HG2# )    2.79072  0.594432  0.658144
assign (resid   13   and name  HN)  (resid      11   and name  HG1# )    3.96398  1.29839  0.892796
assign (resid   13   and name  HN)  (resid      11   and name  HA )    3.78868  0.79321  0.857736
assign (resid   13   and name  HN)  (resid      12   and name  HD# )    3.7364  1.16184  0.84728
assign (resid   13   and name  HN)  (resid      11   and name  HB )    3.65783  1.1147  0.831566
assign (resid   13   and name  HN)  (resid      12   and name  HB# )    3.63955  1.10373  0.82791
assign (resid   13   and name  HN)  (resid      13   and name  HB )    3.49173  1.01504  0.798346
assign (resid   13   and name  HN)  (resid      12   and name  HA )    3.37208  0.443248  0.374416
assign (resid   14   and name  HN)  (resid      13   and name  HB )    3.15224  0.811344  0.830448
assign (resid   14   and name  HB#)  (resid      15   and name  HD# )    3.13734  0.802404  0.727468
assign (resid   14   and name  HN)  (resid      13   and name  HG2# )    3.05708  0.754248  1.111416
assign (resid   14   and name  HB1)  (resid      15   and name  HD# )    2.91885  0.67131  0.68377
assign (resid   14   and name  HB1)  (resid      6   and name  HB1 )    2.91299  0.667794  0.682598
assign (resid   14   and name  HN)  (resid      12   and name  HA )    2.87682  0.346092  0.975364
assign (resid   14   and name  HB#)  (resid      15   and name  HD# )    2.84358  0.626148  0.668716
assign (resid   14   and name  HB1)  (resid      18   and name  HB2 )    2.7557  0.57342  0.905114
assign (resid   14   and name  HN)  (resid      14   and name  HB1 )    2.7272  0.55632  0.64544
assign (resid   14   and name  HN)  (resid      15   and name  HD2 )    3.92751  1.27651  0.885502
assign (resid   14   and name  HN)  (resid      14   and name  HA )    2.61513  0.489078  0.623026
assign (resid   14   and name  HN)  (resid      13   and name  HA )    2.55128  0.350768  0.710256
assign (resid   14   and name  HA)  (resid      15   and name  HD# )    2.50094  0.420564  0.600188
assign (resid   14   and name  HA)  (resid      15   and name  HD# )    2.43459  0.380754  0.586918
assign (resid   14   and name  HN)  (resid      13   and name  HN )    2.40906  0.365436  0.581812
assign (resid   14   and name  HB#)  (resid      15   and name  HD# )    3.48556  1.01134  0.797112
assign (resid   14   and name  HB1)  (resid      6   and name  HB2 )    3.45011  0.990066  0.790022
assign (resid   14   and name  HN)  (resid      11   and name  HG2# )    2.33288  0.319728  0.566576
assign (resid   14   and name  HN)  (resid      11   and name  HG1# )    3.28768  0.892608  1.457536
assign (resid   14   and name  HN)  (resid      14   and name  HB2 )    2.22017  0.252102  0.544034
assign (resid   14   and name  HN)  (resid      11   and name  HN )    3.17984  0.827904  0.835968
assign (resid   15   and name  HD#)  (resid      15   and name  HB# )    2.97222  0.703332  0.694444
assign (resid   16   and name  HE2#)  (resid      16   and name  HG# )    3.08658  0.971948  0.917316
assign (resid   16   and name  HE2#)  (resid      16   and name  HG# )    2.96558  0.999348  0.993116
assign (resid   16   and name  HN)  (resid      16   and name  HA )    2.90152  0.660912  0.680304
assign (resid   16   and name  HN)  (resid      15   and name  HB# )    2.8987  0.65922  0.67974
assign (resid   16   and name  HE2#)  (resid      19   and name  HB# )    4.04771  1.64863  1.109542
assign (resid   16   and name  HN)  (resid      15   and name  HB# )    3.99232  1.31539  0.898464
assign (resid   16   and name  HN)  (resid      16   and name  HB# )    2.68063  0.528378  0.636126
assign (resid   16   and name  HA)  (resid      17   and name  HD# )    3.89105  1.25463  1.47821
assign (resid   16   and name  HE2#)  (resid      19   and name  HB# )    3.75498  1.37299  1.1850996
assign (resid   16   and name  HN)  (resid      16   and name  HG# )    3.54858  1.04915  0.809716
assign (resid   16   and name  HE2#)  (resid      16   and name  HA )    3.53039  1.13823  1.106078
assign (resid   16   and name  HN)  (resid      16   and name  HG# )    3.51935  1.03161  0.80387
assign (resid   16   and name  HN)  (resid      15   and name  HG# )    3.51717  1.0303  0.803434
assign (resid   16   and name  HN)  (resid      15   and name  HA )    2.32081  0.312486  0.564162
assign (resid   20   and name  HD1)  (resid      19   and name  HB# )    3.01441  0.828646  1.202882
assign (resid   20   and name  HD#)  (resid      20   and name  HB# )    2.76569  0.579414  0.653138
assign (resid   20   and name  HD2)  (resid      19   and name  HB# )    2.74024  0.564144  0.848048
assign (resid   20   and name  HD1)  (resid      10   and name  HB2 )    3.54743  0.34846  1.109486
assign (resid   20   and name  HD2)  (resid      10   and name  HB2 )    3.28633  0.391798  1.057266
assign (resid   20   and name  HD#)  (resid      19   and name  HB# )    3.22141  0.852846  1.144282
assign (resid   20   and name  HD1)  (resid      19   and name  HB# )    3.18307  0.829842  1.136614
assign (resid   21   and name  HN)  (resid      20   and name  HB1 )    3.54007  0.148014  0.777004
assign (resid   21   and name  HN)  (resid      20   and name  HB2 )    3.54007  0.148014  0.477004
assign (resid   21   and name  HN)  (resid      21   and name  HB# )    2.3401  0.20802  0.217005
assign (resid   21   and name  HN)  (resid      20   and name  HA )    2.29486  0.208972  0.114743
assign (resid   21   and name  HN)  (resid      20   and name  HD# )    4.54701  0.549402  0.32735
assign (resid   21   and name  HN)  (resid      19   and name  HB1 )    4.53269  0.546538  0.726634
assign (resid   21   and name  HN)  (resid      20   and name  HG# )    4.27131  0.494262  0.713565
assign (resid   21   and name  HN)  (resid      21   and name  HA )    2.8944  0.10888  0.14472
assign (resid   21   and name  HN)  (resid      20   and name  HD# )    4.08071  0.456142  0.604036
assign (resid   22   and name  HN)  (resid      21   and name  HA )    2.38708  0.387416  0.109354
assign (resid   22   and name  HN)  (resid      20   and name  HA )    4.31489  0.202978  1.115744
assign (resid   22   and name  HN)  (resid      22   and name  HB# )    2.89747  0.419494  0.444874
assign (resid   22   and name  HN)  (resid      22   and name  HA )    2.82758  0.09516  0.141379
assign (resid   22   and name  HN)  (resid      22   and name  HG# )    2.81477  0.102954  0.840739
assign (resid   22   and name  HN)  (resid      21   and name  HB# )    2.81477  0.202954  0.340739
assign (resid   23   and name  HN)  (resid      23   and name  HG# )    3.73635  0.38727  0.586818
assign (resid   23   and name  HN)  (resid      23   and name  HB# )    3.67856  0.775712  0.983928
assign (resid   23   and name  HN)  (resid      22   and name  HN )    4.37354  0.234708  0.433677
assign (resid   21   and name  HN)  (resid      22   and name  HN )    4.32354  0.204708  0.333677
assign (resid   23   and name  HN)  (resid      23   and name  HB# )    3.14645  0.26929  0.757323
assign (resid   23   and name  HN)  (resid      22   and name  HB# )    4.25511  0.231022  0.597756
assign (resid   23   and name  HN)  (resid      22   and name  HA )    2.56741  0.553482  0.278371
assign (resid   23   and name  HN)  (resid      23   and name  HA )    2.89741  0.103482  0.228371
assign (resid   24   and name  HN)  (resid      23   and name  HN )    4.52157  0.464314  0.281079
assign (resid   24   and name  HN)  (resid      24   and name  HG# )    3.54007  0.348014  0.777004
assign (resid   24   and name  HN)  (resid      23   and name  HB2 )    3.48841  0.337682  0.474421
assign (resid   24   and name  HN)  (resid      23   and name  HB1 )    3.43141  0.326282  0.471571
assign (resid   24   and name  HN)  (resid      24   and name  HB# )    3.39888  0.319776  0.769944
assign (resid   24   and name  HN)  (resid      23   and name  HA )    2.29285  0.29857  0.214643
assign (resid   24   and name  HN)  (resid      24   and name  HA )    3.2221  0.38442  0.261105
assign (resid   24   and name  HN)  (resid      24   and name  HG# )    3.09132  0.358264  0.754566
assign (resid   24   and name  HN)  (resid      24   and name  HB# )    3.8819  0.41638  0.794095
assign (resid   9   and name  HA)  (resid      9   and name  HG1 )    2.98583  0.311498  0.897166
assign (resid   9   and name  HA)  (resid      9   and name  HG2 )    2.94863  0.389178  0.889726
assign (resid   9   and name  HA)  (resid      9   and name  HB# )    2.41841  0.171046  0.183682
assign (resid   16   and name  HE2#)  (resid      16   and name  HG# )    3.64671  1.10803  0.829342
assign (resid   16   and name  HE2#)  (resid      16   and name  HG# )    3.50375  1.02225  0.80075
assign (resid   16   and name  HE2#)  (resid      19   and name  HB# )    4.78226  1.78936  1.05645
assign (resid   16   and name  HA)  (resid      17   and name  HD# )    4.59716  1.6783  1.01943
assign (resid   16   and name  HE2#)  (resid      19   and name  HB# )    4.4364  1.58184  0.98728
assign (resid   16   and name  HE2#)  (resid      16   and name  HA )    4.17105  1.42263  0.93421
assign (resid   17   and name  HE#)  (resid      17   and name  HB# )    3.68407  0.376814  0.384204
assign (resid   17   and name  HE#)  (resid      17   and name  HB# )    3.58374  0.356748  0.279187
assign (resid   17   and name  HE#)  (resid      15   and name  HB2 )    3.5792  0.35584  0.27896
assign (resid   17   and name  HN)  (resid      15   and name  HB2 )    3.5792  0.45584  0.47896
assign (resid   17   and name  HN)  (resid      16   and name  HN )    3.5747  0.95494  0.278735
assign (resid   17   and name  HD#)  (resid      15   and name  HG# )    3.55709  0.351418  0.277855
assign (resid   17   and name  HD#)  (resid      15   and name  HB2 )    3.5116  0.34232  0.27558
assign (resid   17   and name  HN)  (resid      16   and name  HB1 )    3.43819  0.527638  0.37191
assign (resid   17   and name  HE#)  (resid      15   and name  HB# )    3.39263  0.318526  0.269632
assign (resid   17   and name  HN)  (resid      17   and name  HB2 )    3.35098  0.310196  0.267549
assign (resid   17   and name  HN)  (resid      16   and name  HB2 )    3.32871  0.305742  0.466436
assign (resid   17   and name  HE#)  (resid      15   and name  HG# )    3.26997  0.293994  0.263498
assign (resid   17   and name  HN)  (resid      16   and name  HA )    3.26046  0.292092  0.263023
assign (resid   17   and name  HD#)  (resid      15   and name  HD# )    4.60239  0.860478  0.83012
assign (resid   17   and name  HD#)  (resid      17   and name  HA )    3.10447  0.360894  0.555224
assign (resid   17   and name  HD#)  (resid      15   and name  HA )    4.49375  0.53875  0.324688
assign (resid   17   and name  HD#)  (resid      16   and name  HG# )    4.47838  0.635676  0.423919
assign (resid   17   and name  HE#)  (resid      15   and name  HA )    4.35818  0.511636  0.317909
assign (resid   17   and name  HN)  (resid      17   and name  HB1 )    2.91002  0.222004  0.245501
assign (resid   17   and name  HN)  (resid      16   and name  HG# )    4.26358  0.492716  0.313179
assign (resid   17   and name  HN)  (resid      16   and name  HG# )    4.23357  0.486714  0.311679
assign (resid   17   and name  HD#)  (resid      16   and name  HB# )    4.2321  0.48642  0.311605
assign (resid   17   and name  HN)  (resid      17   and name  HA )    2.87445  0.21489  0.243723
assign (resid   17   and name  HN)  (resid      17   and name  HD# )    2.84351  0.208702  0.242176
assign (resid   17   and name  HN)  (resid      15   and name  HA )    4.02363  0.444726  0.301181
assign (resid   17   and name  HD#)  (resid      15   and name  HB# )    3.9047  0.52094  0.395235
assign (resid   17   and name  HN)  (resid      18   and name  HN )    2.65074  0.170148  0.232537
assign (resid   17   and name  HD#)  (resid      18   and name  HA )    3.8819  0.41638  0.294095
assign (resid   17   and name  HN)  (resid      15   and name  HG# )    3.84487  0.408974  0.292243
assign (resid   17   and name  HE#)  (resid      1   and name  HA )    3.82581  0.405162  0.291291
assign (resid   18   and name  HB#)  (resid      6   and name  HB# )    3.41814  0.523628  0.470907
assign (resid   18   and name  HN)  (resid      18   and name  HB1 )    3.40522  0.321044  0.270261
assign (resid   18   and name  HN)  (resid      15   and name  HB2 )    3.37734  0.315468  0.268867
assign (resid   18   and name  HB2)  (resid      15   and name  HD# )    3.37434  0.314868  0.268717
assign (resid   18   and name  HN)  (resid      17   and name  HA )    3.2846  0.29692  0.26423
assign (resid   18   and name  HN)  (resid      6   and name  HB# )    4.79614  0.599228  0.339807
assign (resid   18   and name  HN)  (resid      15   and name  HA )    4.77203  0.594406  0.338601
assign (resid   18   and name  HN)  (resid      18   and name  HA )    3.18072  0.276144  0.159036
assign (resid   18   and name  HN)  (resid      14   and name  HB1 )    4.58171  0.556342  0.329086
assign (resid   18   and name  HN)  (resid      19   and name  HB1 )    4.50723  0.541446  0.325361
assign (resid   18   and name  HN)  (resid      17   and name  HB1 )    4.32162  0.504324  0.316081
assign (resid   18   and name  HN)  (resid      19   and name  HB2 )    4.29191  0.498382  0.314596
assign (resid   18   and name  HN)  (resid      15   and name  HD2 )    4.18982  0.477964  0.309491
assign (resid   18   and name  HN)  (resid      17   and name  HB2 )    4.12782  0.465564  0.306391
assign (resid   18   and name  HN)  (resid      15   and name  HG# )    4.06618  1.253236  0.603309
assign (resid   18   and name  HN)  (resid      15   and name  HB1 )    4.01548  0.643096  0.500774
assign (resid   18   and name  HN)  (resid      18   and name  HB2 )    2.67233  0.174466  0.233617
assign (resid   18   and name  HB1)  (resid      15   and name  HD# )    3.90887  0.421774  0.295443
assign (resid   19   and name  HN)  (resid      18   and name  HN )    2.47071  0.134142  0.223535
assign (resid   19   and name  HN)  (resid      17   and name  HA )    3.60231  0.360462  0.280116
assign (resid   19   and name  HN)  (resid      18   and name  HA )    3.5792  0.35584  0.27896
assign (resid   19   and name  HN)  (resid      18   and name  HB2 )    3.54851  0.349702  0.277425
assign (resid   19   and name  HN)  (resid      16   and name  HA )    3.28709  0.297418  0.264355
assign (resid   19   and name  HA)  (resid      20   and name  HD1 )    3.20929  0.781858  0.160464
assign (resid   19   and name  HA)  (resid      20   and name  HD2 )    3.16901  0.773802  0.158451
assign (resid   19   and name  HN)  (resid      20   and name  HA )    4.6347  0.56694  0.831735
assign (resid   19   and name  HN)  (resid      19   and name  HB1 )    2.95478  0.330956  0.247739
assign (resid   19   and name  HN)  (resid      18   and name  HB1 )    4.30165  0.50033  0.315083
assign (resid   19   and name  HN)  (resid      19   and name  HB2 )    2.73918  0.387836  0.236959
assign (resid   19   and name  HN)  (resid      20   and name  HD# )    4.01751  0.443502  0.300875
assign (resid   19   and name  HB2)  (resid      10   and name  HB2 )    3.82581  0.305162  0.391291






assign ( resid   4  and name N   )
       ( resid   4  and name CA  )
       ( resid   4  and name C   )
       ( resid   5  and name N   )   1.0  -22.56    16.69     2
                                                                    
assign ( resid   7  and name C   )
       ( resid   8  and name N   )
       ( resid   8  and name CA  )
       ( resid   8  and name C   )   1.0  -85.95   23.68     2
assign ( resid   8  and name N   )
       ( resid   8  and name CA  )
       ( resid   8  and name C   )
       ( resid   9  and name N   )   1.0  -24.34   26.60     2

assign ( resid  12  and name N   )
       ( resid  12  and name CA  )
       ( resid  12  and name C   )
       ( resid  13  and name N   )   1.0  -25.75   18.40     2
                                  
assign ( resid  12  and name C   )
       ( resid  13  and name N   )
       ( resid  13  and name CA  )
       ( resid  13  and name C   )   1.0  -95.95   16.45     2
assign ( resid  13  and name N   )
       ( resid  13  and name CA  )
       ( resid  13  and name C   )
       ( resid  14  and name N   )   1.0   -3.36   17.25     2
                                  

assign ( resid  15  and name N   )
       ( resid  15  and name CA  )
       ( resid  15  and name C   )
       ( resid  16  and name N   )   1.0  134.40   13.76     2
                                  
assign ( resid  15  and name C   )
       ( resid  16  and name N   )
       ( resid  16  and name CA  )
       ( resid  16  and name C   )   1.0  -66.79   10.00     2
assign ( resid  16  and name N   )
       ( resid  16  and name CA  )
       ( resid  16  and name C   )
       ( resid  17  and name N   )   1.0  -28.81    18.59     2
                                  
assign ( resid  16  and name C   )
       ( resid  17  and name N   )
       ( resid  17  and name CA  )
       ( resid  17  and name C   )   1.0  -85.66   14.02     2
assign ( resid  17  and name N   )
       ( resid  17  and name CA  )
       ( resid  17  and name C   )
       ( resid  18  and name N   )   1.0   -0.80   28.70     2
                                                            
assign ( resid   20  and name N   )
       ( resid   20  and name CA  )
       ( resid   20  and name C   )
       ( resid   21  and name N   )   0.2  125.03    30.00     2
       
assign ( resid  20  and name C   )
       ( resid  21  and name N   )
       ( resid  21  and name CA  )
       ( resid  21  and name C   )   0.05  -78.82   27.54     2

 
assign (resid 2 and name n ) (resid 2 and name ca)
        (resid 2 and name cb) (resid 2 and name SG)   0.5  -60.0    20.0 2

assign (resid 9 and name n ) (resid 9 and name ca)
 (resid 9 and name cb) (resid 9 and name CG)   0.5  -60.0    30.0 2






                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid   2  and name CA  ) 
       ( resid   2  and name HA  )   -1.0349  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid   3  and name CA  ) 
       ( resid   3  and name HA  )  3.9015  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid   4  and name CA  ) 
       ( resid   4  and name HA  )   0.905  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid   5  and name CA  ) 
       ( resid   5  and name HA  )   -4.9469  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid   7  and name CA  ) 
       ( resid   7  and name HA  )   -5.0450  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid   8  and name CA  ) 
       ( resid   8  and name HA  ) 10.1442  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid   9  and name CA  ) 
       ( resid   9  and name HA  )  9.5501  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  10  and name CA  ) 
       ( resid  10  and name HA  )  0.5268  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  11  and name CA  ) 
       ( resid  11  and name HA  )  0.7632  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  12  and name CA  ) 
       ( resid  12  and name HA  )  2.1756  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  13  and name CA  ) 
       ( resid  13  and name HA  )   -3.3016  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  15  and name CA  ) 
       ( resid  15  and name HA  )   -4.6867  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  16  and name CA  ) 
       ( resid  16  and name HA  )   -7.17  0.5000
 
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  17  and name CA  ) 
       ( resid  17  and name HA  ) 12.7343  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  18  and name CA  ) 
       ( resid  18  and name HA  )   -0.4064  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  19  and name CA  ) 
       ( resid  19  and name HA  )   -7.9850  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  20  and name CA  ) 
       ( resid  20  and name HA  )   -9.3355  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  21  and name CA  ) 
       ( resid  21  and name HA  )   -4.7976  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  5  and name CB  ) 
       ( resid   5  and name HB  )  1.9600  0.5000
 
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  7  and name CB  ) 
       ( resid   7  and name HB  )  2.2935  0.5000
                                  
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  11  and name CB  ) 
       ( resid  11  and name HB  )  3.8629  0.5000
 
assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  13  and name CB  ) 
       ( resid  13  and name HB  )   4.24  0.5000

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  8  and name CA  ) 
       ( resid  8  and name CB  )  -2.96  0.5000
 
!assign ( resid 500  and name OO  ) 
!       ( resid 500  and name Z   ) 
!       ( resid 500  and name X   ) 
!       ( resid 500  and name Y   ) 
!       ( resid  21  and name CA  ) 
!       ( resid  21  and name CB  )  -3.1849   0.5000

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  13  and name CB  )
       ( resid  13  and name CG2  )   1.54651  0.5000


                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  16  and name N   )
       ( resid  16  and name HN  )  -0.615   0.500
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   5  and name N   )
       ( resid   5  and name HN  )   8.452   0.500
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   6  and name N   )
       ( resid   6  and name HN  )   5.245   0.500
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   7  and name N   )
       ( resid   7  and name HN  )   7.602   0.500
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   8  and name N   )
       ( resid   8  and name HN  )   9.632   0.500
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   9  and name N   )
       ( resid   9  and name HN  )   6.023   0.500
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  10  and name N   )
       ( resid  10  and name HN  )   5.317   0.500
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  11  and name N   )
       ( resid  11  and name HN  )   3.195   0.500
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  14  and name N   )
       ( resid  14  and name HN  )  -3.287   0.500
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name N   )
       ( resid  17  and name HN  )   4.952   0.500
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  18  and name N   )
       ( resid  18  and name HN  )   3.963   0.500
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  19  and name N   )
       ( resid  19  and name HN  )  -4.434   0.500
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name N   )
       ( resid  21  and name HN  )  -4.876   0.500


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PRO   1          1HT       PRO   1  -5.746  -8.314   2.658
    2   2H    PRO   1          2HT       PRO   1  -7.037  -7.936   3.604
    3    HA   PRO   1           HA       PRO   1  -5.803  -7.206   5.048
    4   1HB   PRO   1          2HB       PRO   1  -4.122  -9.594   5.507
    5   2HB   PRO   1          1HB       PRO   1  -5.230  -8.768   6.616
    6   1HG   PRO   1          2HG       PRO   1  -5.842 -11.144   5.540
    7   2HG   PRO   1          1HG       PRO   1  -7.076  -9.905   5.832
    8   1HD   PRO   1          2HD       PRO   1  -5.682 -10.618   3.265
    9   2HD   PRO   1          1HD       PRO   1  -7.410 -10.340   3.558
   10    H    CYS   2           H        CYS   2  -3.745  -6.211   5.428
   11    HA   CYS   2           HA       CYS   2  -2.153  -6.099   3.029
   12   1HB   CYS   2          2HB       CYS   2  -1.594  -4.497   5.472
   13   2HB   CYS   2          1HB       CYS   2  -1.361  -4.071   3.797
   14    HA   PRO   3           HA       PRO   3   1.150  -8.555   4.890
   15   1HB   PRO   3          2HB       PRO   3   2.599  -8.864   2.678
   16   2HB   PRO   3          1HB       PRO   3   1.059  -9.711   2.880
   17   1HG   PRO   3          2HG       PRO   3   1.654  -7.217   1.366
   18   2HG   PRO   3          1HG       PRO   3   0.660  -8.594   0.875
   19   1HD   PRO   3          2HD       PRO   3  -0.357  -6.248   1.905
   20   2HD   PRO   3          1HD       PRO   3  -1.168  -7.818   2.024
   21    HA   PRO   4           HA       PRO   4   4.082  -5.614   6.174
   22   1HB   PRO   4          2HB       PRO   4   6.406  -7.179   5.930
   23   2HB   PRO   4          1HB       PRO   4   5.363  -7.045   7.346
   24   1HG   PRO   4          2HG       PRO   4   5.415  -9.127   5.216
   25   2HG   PRO   4          1HG       PRO   4   5.068  -9.291   6.949
   26   1HD   PRO   4          2HD       PRO   4   3.110  -9.355   5.125
   27   2HD   PRO   4          1HD       PRO   4   2.873  -8.571   6.702
   28    H    VAL   5           H        VAL   5   4.740  -7.265   3.094
   29    HA   VAL   5           HA       VAL   5   6.840  -5.496   2.379
   30    HB   VAL   5           HB       VAL   5   6.894  -6.439   0.252
   31   1HG1  VAL   5          1HG1      VAL   5   7.286  -8.701   0.703
   32   2HG1  VAL   5          2HG1      VAL   5   5.969  -8.779   1.873
   33   3HG1  VAL   5          3HG1      VAL   5   7.456  -7.918   2.274
   34   1HG2  VAL   5          1HG2      VAL   5   5.233  -7.460  -0.914
   35   2HG2  VAL   5          2HG2      VAL   5   4.313  -6.301   0.042
   36   3HG2  VAL   5          3HG2      VAL   5   4.396  -7.996   0.536
   37    H    CYS   6           H        CYS   6   3.428  -5.294   2.266
   38    HA   CYS   6           HA       CYS   6   3.334  -3.185   0.319
   39   1HB   CYS   6          2HB       CYS   6   1.272  -4.151   2.300
   40   2HB   CYS   6          1HB       CYS   6   0.983  -2.992   0.996
   41    H    VAL   7           H        VAL   7   3.455  -3.446   3.809
   42    HA   VAL   7           HA       VAL   7   2.839  -0.785   4.397
   43    HB   VAL   7           HB       VAL   7   4.154  -3.006   5.956
   44   1HG1  VAL   7          1HG1      VAL   7   4.909  -1.564   7.475
   45   2HG1  VAL   7          2HG1      VAL   7   3.258  -0.994   7.720
   46   3HG1  VAL   7          3HG1      VAL   7   4.297  -0.202   6.537
   47   1HG2  VAL   7          1HG2      VAL   7   2.100  -3.620   6.348
   48   2HG2  VAL   7          2HG2      VAL   7   1.511  -2.313   5.322
   49   3HG2  VAL   7          3HG2      VAL   7   1.735  -2.038   7.051
   50    H    ALA   8           H        ALA   8   5.828  -2.545   3.906
   51    HA   ALA   8           HA       ALA   8   7.431  -0.169   4.292
   52   1HB   ALA   8          1HB       ALA   8   9.278  -1.793   3.665
   53   2HB   ALA   8          2HB       ALA   8   8.020  -3.033   3.630
   54   3HB   ALA   8          3HB       ALA   8   8.360  -2.166   5.127
   55    H    GLN   9           H        GLN   9   6.040  -1.877   1.550
   56    HA   GLN   9           HA       GLN   9   7.226   0.141  -0.185
   57   1HB   GLN   9          2HB       GLN   9   7.246  -2.725  -1.068
   58   2HB   GLN   9          1HB       GLN   9   8.150  -1.365  -1.720
   59   1HG   GLN   9          2HG       GLN   9   9.381  -1.323   0.498
   60   2HG   GLN   9          1HG       GLN   9   8.653  -2.898   0.803
   61   1HE2  GLN   9          1HE2      GLN   9   9.067  -4.589  -0.806
   62   2HE2  GLN   9          2HE2      GLN   9  10.585  -4.597  -1.631
   63    H    CYS  10           H        CYS  10   5.863   0.854  -1.731
   64    HA   CYS  10           HA       CYS  10   3.213  -0.323  -1.863
   65   1HB   CYS  10          2HB       CYS  10   3.709   2.189  -1.723
   66   2HB   CYS  10          1HB       CYS  10   4.235   2.072  -3.398
   67    H    VAL  11           H        VAL  11   4.171  -2.312  -2.867
   68    HA   VAL  11           HA       VAL  11   5.141  -2.085  -5.549
   69    HB   VAL  11           HB       VAL  11   4.786  -4.689  -5.429
   70   1HG1  VAL  11          1HG1      VAL  11   7.018  -4.899  -4.593
   71   2HG1  VAL  11          2HG1      VAL  11   6.910  -3.328  -3.797
   72   3HG1  VAL  11          3HG1      VAL  11   6.908  -3.427  -5.558
   73   1HG2  VAL  11          1HG2      VAL  11   4.668  -5.675  -3.351
   74   2HG2  VAL  11          2HG2      VAL  11   3.585  -4.306  -3.153
   75   3HG2  VAL  11          3HG2      VAL  11   5.225  -4.231  -2.504
   76    HA   PRO  12           HA       PRO  12   1.473  -2.466  -7.852
   77   1HB   PRO  12          2HB       PRO  12   2.471  -4.725  -9.435
   78   2HB   PRO  12          1HB       PRO  12   2.126  -3.070  -9.937
   79   1HG   PRO  12          2HG       PRO  12   4.645  -4.022  -9.730
   80   2HG   PRO  12          1HG       PRO  12   4.236  -2.328  -9.411
   81   1HD   PRO  12          2HD       PRO  12   4.767  -4.548  -7.477
   82   2HD   PRO  12          1HD       PRO  12   5.242  -2.838  -7.391
   83    H    THR  13           H        THR  13   2.576  -5.425  -6.393
   84    HA   THR  13           HA       THR  13   0.148  -6.845  -6.963
   85    HB   THR  13           HB       THR  13   1.166  -8.442  -5.187
   86    HG1  THR  13           1HG      THR  13   2.732  -6.526  -4.733
   87   1HG2  THR  13          1HG2      THR  13   1.250  -9.042  -7.496
   88   2HG2  THR  13          2HG2      THR  13   2.839  -9.316  -6.781
   89   3HG2  THR  13          3HG2      THR  13   2.559  -7.898  -7.793
   90    H    CYS  14           H        CYS  14   1.277  -4.697  -4.574
   91    HA   CYS  14           HA       CYS  14  -0.343  -5.546  -2.438
   92   1HB   CYS  14          2HB       CYS  14   1.122  -3.040  -3.123
   93   2HB   CYS  14          1HB       CYS  14   0.124  -3.139  -1.675
   94    HA   PRO  15           HA       PRO  15  -4.344  -3.812  -3.411
   95   1HB   PRO  15          2HB       PRO  15  -5.290  -3.574  -0.913
   96   2HB   PRO  15          1HB       PRO  15  -5.070  -5.145  -1.649
   97   1HG   PRO  15          2HG       PRO  15  -3.260  -3.665   0.176
   98   2HG   PRO  15          1HG       PRO  15  -3.844  -5.328   0.333
   99   1HD   PRO  15          2HD       PRO  15  -1.444  -4.803  -0.669
  100   2HD   PRO  15          1HD       PRO  15  -2.450  -6.087  -1.368
  101    H    GLN  16           H        GLN  16  -4.847  -1.827  -3.853
  102    HA   GLN  16           HA       GLN  16  -3.213   0.318  -3.397
  103   1HB   GLN  16          2HB       GLN  16  -4.890   0.137  -5.209
  104   2HB   GLN  16          1HB       GLN  16  -6.159   0.458  -4.057
  105   1HG   GLN  16          2HG       GLN  16  -5.894   2.536  -4.846
  106   2HG   GLN  16          1HG       GLN  16  -4.682   2.585  -3.572
  107   1HE2  GLN  16          1HE2      GLN  16  -4.385   0.904  -6.660
  108   2HE2  GLN  16          2HE2      GLN  16  -3.097   1.878  -7.269
  109    H    TYR  17           H        TYR  17  -5.979  -0.717  -1.543
  110    HA   TYR  17           HA       TYR  17  -6.065   1.647  -0.003
  111   1HB   TYR  17          2HB       TYR  17  -7.535   0.262   1.550
  112   2HB   TYR  17          1HB       TYR  17  -8.105   0.477  -0.100
  113    HD1  TYR  17           1HD      TYR  17  -8.413  -1.377  -1.549
  114    HD2  TYR  17           2HD      TYR  17  -6.573  -1.936   2.246
  115    HE1  TYR  17           1HE      TYR  17  -8.770  -3.806  -1.735
  116    HE2  TYR  17           2HE      TYR  17  -6.912  -4.370   2.084
  117    HH   TYR  17           HH       TYR  17  -7.192  -6.030  -0.020
  118    H    CYS  18           H        CYS  18  -3.955  -1.003   0.140
  119    HA   CYS  18           HA       CYS  18  -3.409  -0.476   2.970
  120   1HB   CYS  18          2HB       CYS  18  -2.273  -2.500   1.063
  121   2HB   CYS  18          1HB       CYS  18  -1.806  -2.343   2.751
  122    H    CYS  19           H        CYS  19  -2.259   0.475  -0.110
  123    HA   CYS  19           HA       CYS  19   0.454   0.885   0.464
  124   1HB   CYS  19          2HB       CYS  19  -0.352   0.999  -1.814
  125   2HB   CYS  19          1HB       CYS  19  -1.285   2.451  -1.442
  126    HA   PRO  20           HA       PRO  20  -0.123   4.263   3.307
  127   1HB   PRO  20          2HB       PRO  20   2.416   4.661   4.046
  128   2HB   PRO  20          1HB       PRO  20   1.541   3.202   4.530
  129   1HG   PRO  20          2HG       PRO  20   3.493   3.577   2.283
  130   2HG   PRO  20          1HG       PRO  20   3.406   2.259   3.467
  131   1HD   PRO  20          2HD       PRO  20   2.376   2.094   0.931
  132   2HD   PRO  20          1HD       PRO  20   1.748   1.174   2.321
  133    H    ALA  21           H        ALA  21  -0.821   5.861   1.968
  134    HA   ALA  21           HA       ALA  21   0.962   7.266   0.213
  135   1HB   ALA  21          1HB       ALA  21  -0.874   8.680  -0.325
  136   2HB   ALA  21          2HB       ALA  21  -1.780   8.142   1.089
  137   3HB   ALA  21          3HB       ALA  21  -1.472   7.022  -0.239
  138    H    LYS  22           H        LYS  22   2.440   8.517   0.926
  139    HA   LYS  22           HA       LYS  22   2.553   9.663   3.512
  140   1HB   LYS  22          2HB       LYS  22   4.187  10.136   1.010
  141   2HB   LYS  22          1HB       LYS  22   4.426  11.131   2.434
  142   1HG   LYS  22          2HG       LYS  22   4.856   9.060   3.745
  143   2HG   LYS  22          1HG       LYS  22   4.795   8.149   2.236
  144   1HD   LYS  22          2HD       LYS  22   6.541  10.252   1.709
  145   2HD   LYS  22          1HD       LYS  22   6.944   9.742   3.349
  146   1HE   LYS  22          2HE       LYS  22   7.374   7.522   2.655
  147   2HE   LYS  22          1HE       LYS  22   6.639   7.798   1.077
  148   1HZ   LYS  22          1HZ       LYS  22   8.826   7.970   0.538
  149   2HZ   LYS  22          2HZ       LYS  22   9.289   8.562   2.053
  150   3HZ   LYS  22          3HZ       LYS  22   8.535   9.589   0.940
  151    H    ARG  23           H        ARG  23   0.467  10.752   3.715
  152    HA   ARG  23           HA       ARG  23   0.645  13.523   3.290
  153   1HB   ARG  23          2HB       ARG  23   0.168  12.808   0.933
  154   2HB   ARG  23          1HB       ARG  23  -1.376  12.177   1.489
  155   1HG   ARG  23          2HG       ARG  23  -2.307  14.217   1.622
  156   2HG   ARG  23          1HG       ARG  23  -0.833  14.965   2.232
  157   1HD   ARG  23          2HD       ARG  23   0.094  14.781  -0.094
  158   2HD   ARG  23          1HD       ARG  23  -1.524  14.318  -0.621
  159    HE   ARG  23           HE       ARG  23  -0.642  16.948   0.230
  160   1HH1  ARG  23          1HH1      ARG  23  -3.348  14.865  -0.507
  161   2HH1  ARG  23          2HH1      ARG  23  -4.444  16.177  -0.773
  162   1HH2  ARG  23          1HH2      ARG  23  -2.086  18.672  -0.105
  163   2HH2  ARG  23          2HH2      ARG  23  -3.727  18.339  -0.548
  164    H    LYS  24           H        LYS  24  -1.478  14.637   3.837
  165    HA   LYS  24           HA       LYS  24  -3.587  13.220   5.065
  166   1HB   LYS  24          2HB       LYS  24  -3.119  13.759   7.439
  167   2HB   LYS  24          1HB       LYS  24  -1.973  12.605   6.772
  168   1HG   LYS  24          2HG       LYS  24  -1.367  15.547   6.909
  169   2HG   LYS  24          1HG       LYS  24  -1.064  14.460   8.262
  170   1HD   LYS  24          2HD       LYS  24   0.746  13.561   7.290
  171   2HD   LYS  24          1HD       LYS  24  -0.019  13.478   5.715
  172   1HE   LYS  24          2HE       LYS  24   1.181  15.216   5.046
  173   2HE   LYS  24          1HE       LYS  24   0.419  16.210   6.289
  174   1HZ   LYS  24          1HZ       LYS  24   2.121  15.437   7.855
  175   2HZ   LYS  24          2HZ       LYS  24   2.799  16.254   6.538
  176   3HZ   LYS  24          3HZ       LYS  24   2.872  14.566   6.611
  Start of MODEL    2
    1   1H    PRO   1          1HT       PRO   1  -5.569  -8.619   2.666
    2   2H    PRO   1          2HT       PRO   1  -6.895  -8.414   3.617
    3    HA   PRO   1           HA       PRO   1  -5.729  -7.435   4.977
    4   1HB   PRO   1          2HB       PRO   1  -3.877  -9.584   5.714
    5   2HB   PRO   1          1HB       PRO   1  -5.202  -8.883   6.655
    6   1HG   PRO   1          2HG       PRO   1  -5.311 -11.381   5.615
    7   2HG   PRO   1          1HG       PRO   1  -6.747 -10.364   5.834
    8   1HD   PRO   1          2HD       PRO   1  -5.148 -10.873   3.340
    9   2HD   PRO   1          1HD       PRO   1  -6.909 -10.855   3.555
   10    H    CYS   2           H        CYS   2  -3.737  -6.280   5.350
   11    HA   CYS   2           HA       CYS   2  -2.110  -6.169   2.994
   12   1HB   CYS   2          2HB       CYS   2  -1.537  -4.578   5.439
   13   2HB   CYS   2          1HB       CYS   2  -1.329  -4.145   3.761
   14    HA   PRO   3           HA       PRO   3   1.218  -8.602   4.819
   15   1HB   PRO   3          2HB       PRO   3   2.673  -8.850   2.602
   16   2HB   PRO   3          1HB       PRO   3   1.150  -9.728   2.790
   17   1HG   PRO   3          2HG       PRO   3   1.702  -7.202   1.312
   18   2HG   PRO   3          1HG       PRO   3   0.729  -8.587   0.802
   19   1HD   PRO   3          2HD       PRO   3  -0.321  -6.274   1.860
   20   2HD   PRO   3          1HD       PRO   3  -1.109  -7.858   1.962
   21    HA   PRO   4           HA       PRO   4   4.123  -5.625   6.132
   22   1HB   PRO   4          2HB       PRO   4   6.467  -7.154   5.907
   23   2HB   PRO   4          1HB       PRO   4   5.396  -7.066   7.308
   24   1HG   PRO   4          2HG       PRO   4   5.502  -9.093   5.124
   25   2HG   PRO   4          1HG       PRO   4   5.172  -9.316   6.852
   26   1HD   PRO   4          2HD       PRO   4   3.197  -9.377   5.057
   27   2HD   PRO   4          1HD       PRO   4   2.961  -8.609   6.643
   28    H    VAL   5           H        VAL   5   4.788  -7.250   3.043
   29    HA   VAL   5           HA       VAL   5   6.890  -5.476   2.349
   30    HB   VAL   5           HB       VAL   5   6.939  -6.404   0.198
   31   1HG1  VAL   5          1HG1      VAL   5   7.376  -7.890   2.363
   32   2HG1  VAL   5          2HG1      VAL   5   7.603  -8.507   0.726
   33   3HG1  VAL   5          3HG1      VAL   5   6.118  -8.868   1.606
   34   1HG2  VAL   5          1HG2      VAL   5   5.292  -7.465  -0.946
   35   2HG2  VAL   5          2HG2      VAL   5   4.351  -6.340   0.028
   36   3HG2  VAL   5          3HG2      VAL   5   4.493  -8.032   0.517
   37    H    CYS   6           H        CYS   6   3.476  -5.286   2.221
   38    HA   CYS   6           HA       CYS   6   3.380  -3.164   0.289
   39   1HB   CYS   6          2HB       CYS   6   1.325  -4.179   2.254
   40   2HB   CYS   6          1HB       CYS   6   1.022  -3.000   0.968
   41    H    VAL   7           H        VAL   7   3.453  -3.445   3.784
   42    HA   VAL   7           HA       VAL   7   2.829  -0.791   4.390
   43    HB   VAL   7           HB       VAL   7   4.156  -3.019   5.933
   44   1HG1  VAL   7          1HG1      VAL   7   3.242  -1.067   7.734
   45   2HG1  VAL   7          2HG1      VAL   7   4.242  -0.215   6.557
   46   3HG1  VAL   7          3HG1      VAL   7   4.906  -1.582   7.456
   47   1HG2  VAL   7          1HG2      VAL   7   2.121  -3.643   6.392
   48   2HG2  VAL   7          2HG2      VAL   7   1.534  -2.426   5.257
   49   3HG2  VAL   7          3HG2      VAL   7   1.694  -2.028   6.971
   50    H    ALA   8           H        ALA   8   5.819  -2.535   3.894
   51    HA   ALA   8           HA       ALA   8   7.413  -0.163   4.303
   52   1HB   ALA   8          1HB       ALA   8   9.279  -1.639   4.099
   53   2HB   ALA   8          2HB       ALA   8   8.266  -2.893   3.374
   54   3HB   ALA   8          3HB       ALA   8   8.049  -2.455   5.067
   55    H    GLN   9           H        GLN   9   6.052  -1.869   1.537
   56    HA   GLN   9           HA       GLN   9   7.249   0.164  -0.175
   57   1HB   GLN   9          2HB       GLN   9   7.288  -2.721  -1.013
   58   2HB   GLN   9          1HB       GLN   9   8.090  -1.359  -1.776
   59   1HG   GLN   9          2HG       GLN   9   9.876  -1.536  -0.477
   60   2HG   GLN   9          1HG       GLN   9   8.918  -1.791   0.974
   61   1HE2  GLN   9          1HE2      GLN   9   7.541  -4.046   0.383
   62   2HE2  GLN   9          2HE2      GLN   9   8.628  -5.374   0.185
   63    H    CYS  10           H        CYS  10   5.907   0.883  -1.738
   64    HA   CYS  10           HA       CYS  10   3.263  -0.297  -1.884
   65   1HB   CYS  10          2HB       CYS  10   3.748   2.216  -1.736
   66   2HB   CYS  10          1HB       CYS  10   4.274   2.105  -3.414
   67    H    VAL  11           H        VAL  11   4.289  -2.287  -2.884
   68    HA   VAL  11           HA       VAL  11   5.233  -2.053  -5.573
   69    HB   VAL  11           HB       VAL  11   4.880  -4.649  -5.473
   70   1HG1  VAL  11          1HG1      VAL  11   6.986  -3.398  -3.744
   71   2HG1  VAL  11          2HG1      VAL  11   7.002  -3.321  -5.506
   72   3HG1  VAL  11          3HG1      VAL  11   7.097  -4.882  -4.690
   73   1HG2  VAL  11          1HG2      VAL  11   3.630  -4.324  -3.232
   74   2HG2  VAL  11          2HG2      VAL  11   5.247  -4.214  -2.532
   75   3HG2  VAL  11          3HG2      VAL  11   4.752  -5.667  -3.405
   76    HA   PRO  12           HA       PRO  12   1.554  -2.405  -7.865
   77   1HB   PRO  12          2HB       PRO  12   2.551  -4.679  -9.438
   78   2HB   PRO  12          1HB       PRO  12   2.182  -3.032  -9.956
   79   1HG   PRO  12          2HG       PRO  12   4.711  -3.936  -9.773
   80   2HG   PRO  12          1HG       PRO  12   4.284  -2.251  -9.425
   81   1HD   PRO  12          2HD       PRO  12   4.842  -4.497  -7.522
   82   2HD   PRO  12          1HD       PRO  12   5.322  -2.790  -7.422
   83    H    THR  13           H        THR  13   2.660  -5.385  -6.437
   84    HA   THR  13           HA       THR  13   0.224  -6.787  -6.992
   85    HB   THR  13           HB       THR  13   1.180  -8.429  -5.267
   86    HG1  THR  13           1HG      THR  13   2.922  -6.410  -4.972
   87   1HG2  THR  13          1HG2      THR  13   2.439  -7.780  -7.877
   88   2HG2  THR  13          2HG2      THR  13   1.498  -9.191  -7.394
   89   3HG2  THR  13          3HG2      THR  13   3.163  -9.010  -6.841
   90    H    CYS  14           H        CYS  14   1.336  -4.631  -4.596
   91    HA   CYS  14           HA       CYS  14  -0.296  -5.483  -2.470
   92   1HB   CYS  14          2HB       CYS  14   1.159  -2.962  -3.134
   93   2HB   CYS  14          1HB       CYS  14   0.175  -3.101  -1.677
   94    HA   PRO  15           HA       PRO  15  -4.302  -3.729  -3.412
   95   1HB   PRO  15          2HB       PRO  15  -5.250  -3.568  -0.910
   96   2HB   PRO  15          1HB       PRO  15  -5.012  -5.120  -1.683
   97   1HG   PRO  15          2HG       PRO  15  -3.213  -3.662   0.172
   98   2HG   PRO  15          1HG       PRO  15  -3.788  -5.332   0.299
   99   1HD   PRO  15          2HD       PRO  15  -1.394  -4.776  -0.695
  100   2HD   PRO  15          1HD       PRO  15  -2.397  -6.049  -1.419
  101    H    GLN  16           H        GLN  16  -4.807  -1.728  -3.804
  102    HA   GLN  16           HA       GLN  16  -3.193   0.420  -3.288
  103   1HB   GLN  16          2HB       GLN  16  -4.878   0.307  -5.100
  104   2HB   GLN  16          1HB       GLN  16  -6.145   0.567  -3.925
  105   1HG   GLN  16          2HG       GLN  16  -5.840   2.745  -3.922
  106   2HG   GLN  16          1HG       GLN  16  -4.094   2.583  -3.733
  107   1HE2  GLN  16          1HE2      GLN  16  -3.326   1.336  -5.991
  108   2HE2  GLN  16          2HE2      GLN  16  -3.681   2.305  -7.376
  109    H    TYR  17           H        TYR  17  -5.942  -0.685  -1.450
  110    HA   TYR  17           HA       TYR  17  -6.042   1.645   0.142
  111   1HB   TYR  17          2HB       TYR  17  -7.481   0.215   1.678
  112   2HB   TYR  17          1HB       TYR  17  -8.069   0.445   0.039
  113    HD1  TYR  17           1HD      TYR  17  -8.360  -1.381  -1.436
  114    HD2  TYR  17           2HD      TYR  17  -6.483  -1.987   2.338
  115    HE1  TYR  17           1HE      TYR  17  -8.687  -3.811  -1.666
  116    HE2  TYR  17           2HE      TYR  17  -6.788  -4.428   2.133
  117    HH   TYR  17           HH       TYR  17  -8.586  -5.926   0.704
  118    H    CYS  18           H        CYS  18  -3.922  -1.012   0.199
  119    HA   CYS  18           HA       CYS  18  -3.330  -0.513   3.023
  120   1HB   CYS  18          2HB       CYS  18  -2.215  -2.517   1.084
  121   2HB   CYS  18          1HB       CYS  18  -1.750  -2.385   2.775
  122    H    CYS  19           H        CYS  19  -2.246   0.466  -0.065
  123    HA   CYS  19           HA       CYS  19   0.475   0.878   0.511
  124   1HB   CYS  19          2HB       CYS  19  -0.272   0.921  -1.784
  125   2HB   CYS  19          1HB       CYS  19  -1.252   2.357  -1.478
  126    HA   PRO  20           HA       PRO  20  -0.126   4.365   3.217
  127   1HB   PRO  20          2HB       PRO  20   2.408   4.788   3.952
  128   2HB   PRO  20          1HB       PRO  20   1.526   3.356   4.496
  129   1HG   PRO  20          2HG       PRO  20   3.505   3.618   2.259
  130   2HG   PRO  20          1HG       PRO  20   3.386   2.353   3.495
  131   1HD   PRO  20          2HD       PRO  20   2.391   2.095   0.949
  132   2HD   PRO  20          1HD       PRO  20   1.747   1.229   2.366
  133    H    ALA  21           H        ALA  21  -0.803   5.891   1.782
  134    HA   ALA  21           HA       ALA  21   1.037   7.229   0.016
  135   1HB   ALA  21          1HB       ALA  21  -1.229   6.988  -0.722
  136   2HB   ALA  21          2HB       ALA  21  -0.869   8.700  -0.500
  137   3HB   ALA  21          3HB       ALA  21  -1.826   7.837   0.704
  138    H    LYS  22           H        LYS  22   2.468   8.558   0.785
  139    HA   LYS  22           HA       LYS  22   2.200   9.912   3.295
  140   1HB   LYS  22          2HB       LYS  22   4.247  10.356   1.104
  141   2HB   LYS  22          1HB       LYS  22   4.387  10.893   2.774
  142   1HG   LYS  22          2HG       LYS  22   5.589   9.013   2.987
  143   2HG   LYS  22          1HG       LYS  22   4.003   8.263   3.165
  144   1HD   LYS  22          2HD       LYS  22   4.254   7.104   1.275
  145   2HD   LYS  22          1HD       LYS  22   4.729   8.548   0.379
  146   1HE   LYS  22          2HE       LYS  22   6.511   6.794   2.064
  147   2HE   LYS  22          1HE       LYS  22   6.514   6.923   0.305
  148   1HZ   LYS  22          1HZ       LYS  22   8.250   8.285   0.934
  149   2HZ   LYS  22          2HZ       LYS  22   7.453   8.874   2.303
  150   3HZ   LYS  22          3HZ       LYS  22   6.985   9.395   0.764
  151    H    ARG  23           H        ARG  23   0.135  11.112   2.847
  152    HA   ARG  23           HA       ARG  23   0.598  13.808   2.318
  153   1HB   ARG  23          2HB       ARG  23   0.870  12.967  -0.028
  154   2HB   ARG  23          1HB       ARG  23  -0.807  12.445   0.015
  155   1HG   ARG  23          2HG       ARG  23  -1.332  14.893   0.601
  156   2HG   ARG  23          1HG       ARG  23   0.302  15.224   0.023
  157   1HD   ARG  23          2HD       ARG  23  -0.449  13.855  -2.057
  158   2HD   ARG  23          1HD       ARG  23  -2.077  14.209  -1.480
  159    HE   ARG  23           HE       ARG  23  -0.599  16.593  -1.555
  160   1HH1  ARG  23          1HH1      ARG  23  -1.997  14.246  -3.726
  161   2HH1  ARG  23          2HH1      ARG  23  -2.227  15.384  -5.010
  162   1HH2  ARG  23          1HH2      ARG  23  -0.903  18.093  -3.241
  163   2HH2  ARG  23          2HH2      ARG  23  -1.605  17.569  -4.735
  164    H    LYS  24           H        LYS  24  -1.272  15.105   2.560
  165    HA   LYS  24           HA       LYS  24  -3.909  14.159   2.694
  166   1HB   LYS  24          2HB       LYS  24  -4.289  14.088   5.133
  167   2HB   LYS  24          1HB       LYS  24  -3.217  12.806   4.591
  168   1HG   LYS  24          2HG       LYS  24  -2.087  15.362   5.662
  169   2HG   LYS  24          1HG       LYS  24  -2.669  14.110   6.755
  170   1HD   LYS  24          2HD       LYS  24  -1.149  12.496   5.748
  171   2HD   LYS  24          1HD       LYS  24  -0.588  13.718   4.608
  172   1HE   LYS  24          2HE       LYS  24  -0.385  14.676   7.316
  173   2HE   LYS  24          1HE       LYS  24   0.467  13.144   7.124
  174   1HZ   LYS  24          1HZ       LYS  24   1.236  14.472   4.929
  175   2HZ   LYS  24          2HZ       LYS  24   2.110  14.446   6.376
  176   3HZ   LYS  24          3HZ       LYS  24   1.086  15.747   6.030
  Start of MODEL    3
    1   1H    PRO   1          1HT       PRO   1  -5.788  -8.255   2.661
    2   2H    PRO   1          2HT       PRO   1  -7.042  -8.033   3.701
    3    HA   PRO   1           HA       PRO   1  -5.746  -7.268   5.073
    4   1HB   PRO   1          2HB       PRO   1  -3.997  -9.590   5.482
    5   2HB   PRO   1          1HB       PRO   1  -5.191  -8.885   6.583
    6   1HG   PRO   1          2HG       PRO   1  -5.576 -11.263   5.361
    7   2HG   PRO   1          1HG       PRO   1  -6.907 -10.161   5.754
    8   1HD   PRO   1          2HD       PRO   1  -5.513 -10.581   3.124
    9   2HD   PRO   1          1HD       PRO   1  -7.251 -10.450   3.462
   10    H    CYS   2           H        CYS   2  -3.678  -6.270   5.427
   11    HA   CYS   2           HA       CYS   2  -2.124  -6.125   2.998
   12   1HB   CYS   2          2HB       CYS   2  -1.536  -4.539   5.444
   13   2HB   CYS   2          1HB       CYS   2  -1.328  -4.104   3.768
   14    HA   PRO   3           HA       PRO   3   1.172  -8.609   4.826
   15   1HB   PRO   3          2HB       PRO   3   2.630  -8.879   2.610
   16   2HB   PRO   3          1HB       PRO   3   1.092  -9.733   2.797
   17   1HG   PRO   3          2HG       PRO   3   1.680  -7.212   1.323
   18   2HG   PRO   3          1HG       PRO   3   0.695  -8.585   0.806
   19   1HD   PRO   3          2HD       PRO   3  -0.340  -6.267   1.864
   20   2HD   PRO   3          1HD       PRO   3  -1.140  -7.844   1.971
   21    HA   PRO   4           HA       PRO   4   4.101  -5.670   6.157
   22   1HB   PRO   4          2HB       PRO   4   6.434  -7.222   5.932
   23   2HB   PRO   4          1HB       PRO   4   5.362  -7.120   7.332
   24   1HG   PRO   4          2HG       PRO   4   5.454  -9.155   5.157
   25   2HG   PRO   4          1HG       PRO   4   5.104  -9.366   6.883
   26   1HD   PRO   4          2HD       PRO   4   3.147  -9.406   5.064
   27   2HD   PRO   4          1HD       PRO   4   2.903  -8.643   6.650
   28    H    VAL   5           H        VAL   5   4.761  -7.284   3.061
   29    HA   VAL   5           HA       VAL   5   6.870  -5.512   2.372
   30    HB   VAL   5           HB       VAL   5   6.919  -6.438   0.223
   31   1HG1  VAL   5          1HG1      VAL   5   6.070  -8.910   1.591
   32   2HG1  VAL   5          2HG1      VAL   5   7.302  -7.941   2.401
   33   3HG1  VAL   5          3HG1      VAL   5   7.581  -8.531   0.763
   34   1HG2  VAL   5          1HG2      VAL   5   5.258  -7.466  -0.932
   35   2HG2  VAL   5          2HG2      VAL   5   4.326  -6.344   0.054
   36   3HG2  VAL   5          3HG2      VAL   5   4.454  -8.042   0.525
   37    H    CYS   6           H        CYS   6   3.454  -5.305   2.254
   38    HA   CYS   6           HA       CYS   6   3.373  -3.186   0.314
   39   1HB   CYS   6          2HB       CYS   6   1.302  -4.175   2.281
   40   2HB   CYS   6          1HB       CYS   6   1.015  -2.992   0.999
   41    H    VAL   7           H        VAL   7   3.477  -3.464   3.809
   42    HA   VAL   7           HA       VAL   7   2.877  -0.804   4.421
   43    HB   VAL   7           HB       VAL   7   4.199  -3.042   5.948
   44   1HG1  VAL   7          1HG1      VAL   7   4.372  -0.255   6.557
   45   2HG1  VAL   7          2HG1      VAL   7   4.967  -1.636   7.480
   46   3HG1  VAL   7          3HG1      VAL   7   3.327  -1.043   7.740
   47   1HG2  VAL   7          1HG2      VAL   7   1.560  -2.356   5.338
   48   2HG2  VAL   7          2HG2      VAL   7   1.787  -2.068   7.065
   49   3HG2  VAL   7          3HG2      VAL   7   2.157  -3.654   6.374
   50    H    ALA   8           H        ALA   8   5.850  -2.572   3.894
   51    HA   ALA   8           HA       ALA   8   7.464  -0.216   4.312
   52   1HB   ALA   8          1HB       ALA   8   8.223  -2.383   5.099
   53   2HB   ALA   8          2HB       ALA   8   9.329  -1.753   3.877
   54   3HB   ALA   8          3HB       ALA   8   8.167  -3.014   3.454
   55    H    GLN   9           H        GLN   9   6.080  -1.889   1.537
   56    HA   GLN   9           HA       GLN   9   7.249   0.176  -0.151
   57   1HB   GLN   9          2HB       GLN   9   7.350  -2.731  -0.932
   58   2HB   GLN   9          1HB       GLN   9   7.983  -1.369  -1.840
   59   1HG   GLN   9          2HG       GLN   9   9.864  -1.274  -0.647
   60   2HG   GLN   9          1HG       GLN   9   9.055  -1.666   0.866
   61   1HE2  GLN   9          1HE2      GLN   9   7.946  -4.053   0.427
   62   2HE2  GLN   9          2HE2      GLN   9   9.149  -5.241   0.070
   63    H    CYS  10           H        CYS  10   5.932   0.858  -1.760
   64    HA   CYS  10           HA       CYS  10   3.276  -0.303  -1.884
   65   1HB   CYS  10          2HB       CYS  10   3.771   2.210  -1.757
   66   2HB   CYS  10          1HB       CYS  10   4.298   2.083  -3.431
   67    H    VAL  11           H        VAL  11   4.284  -2.301  -2.867
   68    HA   VAL  11           HA       VAL  11   5.267  -2.098  -5.541
   69    HB   VAL  11           HB       VAL  11   4.858  -4.694  -5.426
   70   1HG1  VAL  11          1HG1      VAL  11   7.018  -3.633  -5.575
   71   2HG1  VAL  11          2HG1      VAL  11   7.061  -4.940  -4.392
   72   3HG1  VAL  11          3HG1      VAL  11   6.980  -3.264  -3.851
   73   1HG2  VAL  11          1HG2      VAL  11   3.610  -4.314  -3.192
   74   2HG2  VAL  11          2HG2      VAL  11   5.227  -4.225  -2.491
   75   3HG2  VAL  11          3HG2      VAL  11   4.706  -5.680  -3.343
   76    HA   PRO  12           HA       PRO  12   1.620  -2.435  -7.890
   77   1HB   PRO  12          2HB       PRO  12   2.602  -4.711  -9.460
   78   2HB   PRO  12          1HB       PRO  12   2.306  -3.046  -9.967
   79   1HG   PRO  12          2HG       PRO  12   4.799  -4.050  -9.718
   80   2HG   PRO  12          1HG       PRO  12   4.422  -2.349  -9.386
   81   1HD   PRO  12          2HD       PRO  12   4.842  -4.609  -7.464
   82   2HD   PRO  12          1HD       PRO  12   5.387  -2.923  -7.356
   83    H    THR  13           H        THR  13   2.626  -5.385  -6.364
   84    HA   THR  13           HA       THR  13   0.185  -6.763  -6.997
   85    HB   THR  13           HB       THR  13   1.098  -8.419  -5.261
   86    HG1  THR  13           1HG      THR  13   3.495  -6.981  -5.653
   87   1HG2  THR  13          1HG2      THR  13   2.355  -7.796  -7.875
   88   2HG2  THR  13          2HG2      THR  13   1.444  -9.217  -7.362
   89   3HG2  THR  13          3HG2      THR  13   3.110  -8.997  -6.826
   90    H    CYS  14           H        CYS  14   1.314  -4.636  -4.581
   91    HA   CYS  14           HA       CYS  14  -0.331  -5.482  -2.465
   92   1HB   CYS  14          2HB       CYS  14   1.144  -2.970  -3.123
   93   2HB   CYS  14          1HB       CYS  14   0.152  -3.094  -1.672
   94    HA   PRO  15           HA       PRO  15  -4.328  -3.717  -3.409
   95   1HB   PRO  15          2HB       PRO  15  -5.264  -3.511  -0.902
   96   2HB   PRO  15          1HB       PRO  15  -5.043  -5.074  -1.656
   97   1HG   PRO  15          2HG       PRO  15  -3.224  -3.611   0.172
   98   2HG   PRO  15          1HG       PRO  15  -3.812  -5.272   0.321
   99   1HD   PRO  15          2HD       PRO  15  -1.418  -4.753  -0.690
  100   2HD   PRO  15          1HD       PRO  15  -2.437  -6.020  -1.396
  101    H    GLN  16           H        GLN  16  -4.833  -1.717  -3.814
  102    HA   GLN  16           HA       GLN  16  -3.193   0.419  -3.338
  103   1HB   GLN  16          2HB       GLN  16  -4.905   0.299  -5.130
  104   2HB   GLN  16          1HB       GLN  16  -6.151   0.599  -3.943
  105   1HG   GLN  16          2HG       GLN  16  -5.787   2.772  -3.938
  106   2HG   GLN  16          1HG       GLN  16  -4.037   2.572  -3.846
  107   1HE2  GLN  16          1HE2      GLN  16  -3.499   1.220  -6.150
  108   2HE2  GLN  16          2HE2      GLN  16  -3.881   2.205  -7.517
  109    H    TYR  17           H        TYR  17  -5.939  -0.631  -1.462
  110    HA   TYR  17           HA       TYR  17  -5.992   1.713   0.109
  111   1HB   TYR  17          2HB       TYR  17  -7.451   0.324   1.661
  112   2HB   TYR  17          1HB       TYR  17  -8.038   0.539   0.018
  113    HD1  TYR  17           1HD      TYR  17  -8.360  -1.309  -1.426
  114    HD2  TYR  17           2HD      TYR  17  -6.461  -1.875   2.344
  115    HE1  TYR  17           1HE      TYR  17  -8.702  -3.738  -1.621
  116    HE2  TYR  17           2HE      TYR  17  -6.781  -4.314   2.173
  117    HH   TYR  17           HH       TYR  17  -8.227  -5.752  -0.746
  118    H    CYS  18           H        CYS  18  -3.909  -0.963   0.185
  119    HA   CYS  18           HA       CYS  18  -3.314  -0.461   3.008
  120   1HB   CYS  18          2HB       CYS  18  -2.231  -2.495   1.081
  121   2HB   CYS  18          1HB       CYS  18  -1.752  -2.355   2.764
  122    H    CYS  19           H        CYS  19  -2.199   0.462  -0.095
  123    HA   CYS  19           HA       CYS  19   0.522   0.854   0.452
  124   1HB   CYS  19          2HB       CYS  19  -0.271   0.956  -1.827
  125   2HB   CYS  19          1HB       CYS  19  -1.228   2.395  -1.470
  126    HA   PRO  20           HA       PRO  20  -0.013   4.251   3.269
  127   1HB   PRO  20          2HB       PRO  20   2.551   4.707   3.909
  128   2HB   PRO  20          1HB       PRO  20   1.699   3.267   4.475
  129   1HG   PRO  20          2HG       PRO  20   3.604   3.557   2.178
  130   2HG   PRO  20          1HG       PRO  20   3.514   2.269   3.395
  131   1HD   PRO  20          2HD       PRO  20   2.449   2.064   0.872
  132   2HD   PRO  20          1HD       PRO  20   1.842   1.171   2.288
  133    H    ALA  21           H        ALA  21  -0.798   5.768   1.896
  134    HA   ALA  21           HA       ALA  21   1.083   7.431   0.378
  135   1HB   ALA  21          1HB       ALA  21  -1.917   7.242   0.349
  136   2HB   ALA  21          2HB       ALA  21  -0.788   6.738  -0.910
  137   3HB   ALA  21          3HB       ALA  21  -0.988   8.450  -0.539
  138    H    LYS  22           H        LYS  22   1.891   9.075   1.423
  139    HA   LYS  22           HA       LYS  22   0.745  10.130   3.835
  140   1HB   LYS  22          2HB       LYS  22   3.072  11.055   2.129
  141   2HB   LYS  22          1HB       LYS  22   2.544  11.946   3.546
  142   1HG   LYS  22          2HG       LYS  22   3.050   9.058   3.927
  143   2HG   LYS  22          1HG       LYS  22   4.450  10.089   3.623
  144   1HD   LYS  22          2HD       LYS  22   2.375  10.683   5.724
  145   2HD   LYS  22          1HD       LYS  22   3.849   9.769   6.045
  146   1HE   LYS  22          2HE       LYS  22   5.194  11.599   5.843
  147   2HE   LYS  22          1HE       LYS  22   4.125  12.392   4.688
  148   1HZ   LYS  22          1HZ       LYS  22   4.333  13.267   7.117
  149   2HZ   LYS  22          2HZ       LYS  22   3.213  12.048   7.456
  150   3HZ   LYS  22          3HZ       LYS  22   2.829  13.260   6.341
  151    H    ARG  23           H        ARG  23  -1.440  10.686   3.026
  152    HA   ARG  23           HA       ARG  23  -1.862  13.390   2.665
  153   1HB   ARG  23          2HB       ARG  23  -0.750  13.120   0.474
  154   2HB   ARG  23          1HB       ARG  23  -1.943  11.914   0.020
  155   1HG   ARG  23          2HG       ARG  23  -2.847  13.719  -1.001
  156   2HG   ARG  23          1HG       ARG  23  -3.607  13.901   0.579
  157   1HD   ARG  23          2HD       ARG  23  -1.748  15.423   1.228
  158   2HD   ARG  23          1HD       ARG  23  -1.142  15.317  -0.425
  159    HE   ARG  23           HE       ARG  23  -3.747  16.101  -0.689
  160   1HH1  ARG  23          1HH1      ARG  23  -0.960  17.338   1.008
  161   2HH1  ARG  23          2HH1      ARG  23  -1.464  18.990   0.885
  162   1HH2  ARG  23          1HH2      ARG  23  -4.411  18.272  -0.852
  163   2HH2  ARG  23          2HH2      ARG  23  -3.422  19.521  -0.172
  164    H    LYS  24           H        LYS  24  -4.071  13.909   2.524
  165    HA   LYS  24           HA       LYS  24  -6.170  12.265   1.757
  166   1HB   LYS  24          2HB       LYS  24  -7.018  11.252   3.775
  167   2HB   LYS  24          1HB       LYS  24  -5.375  10.690   3.522
  168   1HG   LYS  24          2HG       LYS  24  -4.546  11.985   5.299
  169   2HG   LYS  24          1HG       LYS  24  -6.003  12.980   5.363
  170   1HD   LYS  24          2HD       LYS  24  -7.236  10.824   5.956
  171   2HD   LYS  24          1HD       LYS  24  -5.639  10.127   6.235
  172   1HE   LYS  24          2HE       LYS  24  -6.016  12.714   7.531
  173   2HE   LYS  24          1HE       LYS  24  -7.153  11.486   8.085
  174   1HZ   LYS  24          1HZ       LYS  24  -4.416  11.775   8.713
  175   2HZ   LYS  24          2HZ       LYS  24  -4.662  10.273   7.976
  176   3HZ   LYS  24          3HZ       LYS  24  -5.543  10.691   9.358
  Start of MODEL    4
    1   1H    PRO   1          1HT       PRO   1  -5.746  -8.222   2.567
    2   2H    PRO   1          2HT       PRO   1  -7.068  -7.965   3.511
    3    HA   PRO   1           HA       PRO   1  -5.867  -7.109   4.917
    4   1HB   PRO   1          2HB       PRO   1  -4.131  -9.377   5.578
    5   2HB   PRO   1          1HB       PRO   1  -5.417  -8.637   6.547
    6   1HG   PRO   1          2HG       PRO   1  -5.662 -11.086   5.420
    7   2HG   PRO   1          1HG       PRO   1  -7.040  -9.999   5.676
    8   1HD   PRO   1          2HD       PRO   1  -5.477 -10.516   3.162
    9   2HD   PRO   1          1HD       PRO   1  -7.233 -10.395   3.385
   10    H    CYS   2           H        CYS   2  -3.829  -6.073   5.337
   11    HA   CYS   2           HA       CYS   2  -2.172  -6.012   2.990
   12   1HB   CYS   2          2HB       CYS   2  -1.653  -4.394   5.426
   13   2HB   CYS   2          1HB       CYS   2  -1.360  -3.994   3.755
   14    HA   PRO   3           HA       PRO   3   1.051  -8.502   4.924
   15   1HB   PRO   3          2HB       PRO   3   2.529  -8.848   2.737
   16   2HB   PRO   3          1HB       PRO   3   0.977  -9.675   2.927
   17   1HG   PRO   3          2HG       PRO   3   1.621  -7.208   1.391
   18   2HG   PRO   3          1HG       PRO   3   0.617  -8.580   0.904
   19   1HD   PRO   3          2HD       PRO   3  -0.387  -6.212   1.889
   20   2HD   PRO   3          1HD       PRO   3  -1.217  -7.773   2.020
   21    HA   PRO   4           HA       PRO   4   4.012  -5.600   6.213
   22   1HB   PRO   4          2HB       PRO   4   6.327  -7.176   6.036
   23   2HB   PRO   4          1HB       PRO   4   5.235  -7.057   7.418
   24   1HG   PRO   4          2HG       PRO   4   5.338  -9.103   5.252
   25   2HG   PRO   4          1HG       PRO   4   4.973  -9.306   6.975
   26   1HD   PRO   4          2HD       PRO   4   3.030  -9.339   5.142
   27   2HD   PRO   4          1HD       PRO   4   2.781  -8.568   6.723
   28    H    VAL   5           H        VAL   5   4.694  -7.279   3.154
   29    HA   VAL   5           HA       VAL   5   6.826  -5.541   2.458
   30    HB   VAL   5           HB       VAL   5   6.887  -6.509   0.326
   31   1HG1  VAL   5          1HG1      VAL   5   7.577  -8.562   0.957
   32   2HG1  VAL   5          2HG1      VAL   5   6.030  -8.960   1.706
   33   3HG1  VAL   5          3HG1      VAL   5   7.200  -7.967   2.574
   34   1HG2  VAL   5          1HG2      VAL   5   5.233  -7.620  -0.789
   35   2HG2  VAL   5          2HG2      VAL   5   4.323  -6.401   0.098
   36   3HG2  VAL   5          3HG2      VAL   5   4.391  -8.064   0.693
   37    H    CYS   6           H        CYS   6   3.416  -5.309   2.275
   38    HA   CYS   6           HA       CYS   6   3.390  -3.214   0.310
   39   1HB   CYS   6          2HB       CYS   6   1.271  -4.137   2.255
   40   2HB   CYS   6          1HB       CYS   6   1.027  -2.999   0.920
   41    H    VAL   7           H        VAL   7   3.435  -3.457   3.807
   42    HA   VAL   7           HA       VAL   7   2.839  -0.794   4.394
   43    HB   VAL   7           HB       VAL   7   4.127  -3.032   5.956
   44   1HG1  VAL   7          1HG1      VAL   7   3.760  -0.168   6.748
   45   2HG1  VAL   7          2HG1      VAL   7   5.123  -1.246   7.050
   46   3HG1  VAL   7          3HG1      VAL   7   3.619  -1.455   7.947
   47   1HG2  VAL   7          1HG2      VAL   7   2.079  -3.593   6.446
   48   2HG2  VAL   7          2HG2      VAL   7   1.518  -2.378   5.294
   49   3HG2  VAL   7          3HG2      VAL   7   1.701  -1.957   7.000
   50    H    ALA   8           H        ALA   8   5.817  -2.589   3.957
   51    HA   ALA   8           HA       ALA   8   7.445  -0.238   4.347
   52   1HB   ALA   8          1HB       ALA   8   9.290  -1.746   4.149
   53   2HB   ALA   8          2HB       ALA   8   8.255  -2.987   3.434
   54   3HB   ALA   8          3HB       ALA   8   8.048  -2.535   5.125
   55    H    GLN   9           H        GLN   9   6.053  -1.931   1.594
   56    HA   GLN   9           HA       GLN   9   7.287   0.076  -0.115
   57   1HB   GLN   9          2HB       GLN   9   7.343  -2.779  -1.016
   58   2HB   GLN   9          1HB       GLN   9   8.268  -1.412  -1.619
   59   1HG   GLN   9          2HG       GLN   9   9.459  -1.388   0.591
   60   2HG   GLN   9          1HG       GLN   9   8.670  -2.925   0.940
   61   1HE2  GLN   9          1HE2      GLN   9   9.020  -4.667  -0.648
   62   2HE2  GLN   9          2HE2      GLN   9  10.568  -4.776  -1.408
   63    H    CYS  10           H        CYS  10   5.963   0.793  -1.690
   64    HA   CYS  10           HA       CYS  10   3.320  -0.384  -1.894
   65   1HB   CYS  10          2HB       CYS  10   3.805   2.126  -1.744
   66   2HB   CYS  10          1HB       CYS  10   4.390   2.011  -3.400
   67    H    VAL  11           H        VAL  11   4.272  -2.379  -2.868
   68    HA   VAL  11           HA       VAL  11   5.329  -2.175  -5.524
   69    HB   VAL  11           HB       VAL  11   4.964  -4.768  -5.406
   70   1HG1  VAL  11          1HG1      VAL  11   7.107  -3.660  -5.501
   71   2HG1  VAL  11          2HG1      VAL  11   7.148  -4.978  -4.330
   72   3HG1  VAL  11          3HG1      VAL  11   7.021  -3.308  -3.774
   73   1HG2  VAL  11          1HG2      VAL  11   4.851  -5.756  -3.299
   74   2HG2  VAL  11          2HG2      VAL  11   3.641  -4.483  -3.235
   75   3HG2  VAL  11          3HG2      VAL  11   5.207  -4.246  -2.455
   76    HA   PRO  12           HA       PRO  12   1.730  -2.562  -7.929
   77   1HB   PRO  12          2HB       PRO  12   2.773  -4.868  -9.431
   78   2HB   PRO  12          1HB       PRO  12   2.426  -3.229  -9.990
   79   1HG   PRO  12          2HG       PRO  12   4.946  -4.131  -9.706
   80   2HG   PRO  12          1HG       PRO  12   4.510  -2.440  -9.394
   81   1HD   PRO  12          2HD       PRO  12   4.989  -4.665  -7.443
   82   2HD   PRO  12          1HD       PRO  12   5.479  -2.962  -7.350
   83    H    THR  13           H        THR  13   2.772  -5.531  -6.422
   84    HA   THR  13           HA       THR  13   0.339  -6.921  -7.024
   85    HB   THR  13           HB       THR  13   1.280  -8.528  -5.230
   86    HG1  THR  13           1HG      THR  13   2.736  -6.986  -4.339
   87   1HG2  THR  13          1HG2      THR  13   2.346  -9.696  -6.819
   88   2HG2  THR  13          2HG2      THR  13   3.313  -8.316  -7.339
   89   3HG2  THR  13          3HG2      THR  13   1.643  -8.477  -7.882
   90    H    CYS  14           H        CYS  14   1.420  -4.756  -4.627
   91    HA   CYS  14           HA       CYS  14  -0.275  -5.568  -2.526
   92   1HB   CYS  14          2HB       CYS  14   1.272  -3.094  -3.165
   93   2HB   CYS  14          1HB       CYS  14   0.236  -3.179  -1.743
   94    HA   PRO  15           HA       PRO  15  -4.193  -3.712  -3.591
   95   1HB   PRO  15          2HB       PRO  15  -5.214  -3.491  -1.123
   96   2HB   PRO  15          1HB       PRO  15  -4.992  -5.057  -1.866
   97   1HG   PRO  15          2HG       PRO  15  -3.218  -3.618   0.026
   98   2HG   PRO  15          1HG       PRO  15  -3.836  -5.271   0.153
   99   1HD   PRO  15          2HD       PRO  15  -1.396  -4.783  -0.774
  100   2HD   PRO  15          1HD       PRO  15  -2.402  -6.046  -1.506
  101    H    GLN  16           H        GLN  16  -4.650  -1.710  -4.015
  102    HA   GLN  16           HA       GLN  16  -3.005   0.415  -3.503
  103   1HB   GLN  16          2HB       GLN  16  -4.478   0.512  -5.343
  104   2HB   GLN  16          1HB       GLN  16  -5.895   0.315  -4.359
  105   1HG   GLN  16          2HG       GLN  16  -4.478   2.648  -3.531
  106   2HG   GLN  16          1HG       GLN  16  -4.734   2.683  -5.270
  107   1HE2  GLN  16          1HE2      GLN  16  -6.588   1.759  -2.361
  108   2HE2  GLN  16          2HE2      GLN  16  -8.040   2.561  -2.840
  109    H    TYR  17           H        TYR  17  -5.820  -0.592  -1.721
  110    HA   TYR  17           HA       TYR  17  -5.911   1.751  -0.149
  111   1HB   TYR  17          2HB       TYR  17  -7.409   0.364   1.377
  112   2HB   TYR  17          1HB       TYR  17  -7.960   0.602  -0.275
  113    HD1  TYR  17           1HD      TYR  17  -8.222  -1.223  -1.767
  114    HD2  TYR  17           2HD      TYR  17  -6.519  -1.848   2.085
  115    HE1  TYR  17           1HE      TYR  17  -8.607  -3.650  -1.991
  116    HE2  TYR  17           2HE      TYR  17  -6.880  -4.279   1.890
  117    HH   TYR  17           HH       TYR  17  -7.249  -5.943   0.225
  118    H    CYS  18           H        CYS  18  -3.859  -0.955  -0.003
  119    HA   CYS  18           HA       CYS  18  -3.327  -0.435   2.828
  120   1HB   CYS  18          2HB       CYS  18  -2.203  -2.476   0.933
  121   2HB   CYS  18          1HB       CYS  18  -1.746  -2.320   2.620
  122    H    CYS  19           H        CYS  19  -2.154   0.487  -0.248
  123    HA   CYS  19           HA       CYS  19   0.549   0.895   0.337
  124   1HB   CYS  19          2HB       CYS  19  -0.254   0.992  -1.942
  125   2HB   CYS  19          1HB       CYS  19  -1.183   2.451  -1.587
  126    HA   PRO  20           HA       PRO  20  -0.067   4.270   3.178
  127   1HB   PRO  20          2HB       PRO  20   2.457   4.635   3.978
  128   2HB   PRO  20          1HB       PRO  20   1.548   3.192   4.440
  129   1HG   PRO  20          2HG       PRO  20   3.575   3.527   2.256
  130   2HG   PRO  20          1HG       PRO  20   3.415   2.210   3.434
  131   1HD   PRO  20          2HD       PRO  20   2.464   2.081   0.857
  132   2HD   PRO  20          1HD       PRO  20   1.785   1.159   2.224
  133    H    ALA  21           H        ALA  21  -0.723   5.876   1.839
  134    HA   ALA  21           HA       ALA  21   1.161   7.336   0.208
  135   1HB   ALA  21          1HB       ALA  21  -0.725   8.751  -0.377
  136   2HB   ALA  21          2HB       ALA  21  -1.729   7.923   0.814
  137   3HB   ALA  21          3HB       ALA  21  -1.116   7.045  -0.589
  138    H    LYS  22           H        LYS  22   2.498   8.681   1.099
  139    HA   LYS  22           HA       LYS  22   2.146   9.813   3.698
  140   1HB   LYS  22          2HB       LYS  22   4.185  10.375   1.525
  141   2HB   LYS  22          1HB       LYS  22   4.204  11.194   3.079
  142   1HG   LYS  22          2HG       LYS  22   4.029   8.475   3.694
  143   2HG   LYS  22          1HG       LYS  22   5.198   8.591   2.375
  144   1HD   LYS  22          2HD       LYS  22   5.523  10.643   4.437
  145   2HD   LYS  22          1HD       LYS  22   5.753   8.995   5.024
  146   1HE   LYS  22          2HE       LYS  22   7.233   8.741   2.895
  147   2HE   LYS  22          1HE       LYS  22   7.286  10.503   2.947
  148   1HZ   LYS  22          1HZ       LYS  22   7.894  10.006   5.447
  149   2HZ   LYS  22          2HZ       LYS  22   9.075  10.027   4.236
  150   3HZ   LYS  22          3HZ       LYS  22   8.453   8.552   4.783
  151    H    ARG  23           H        ARG  23   0.037  10.892   3.454
  152    HA   ARG  23           HA       ARG  23   0.268  13.656   3.089
  153   1HB   ARG  23          2HB       ARG  23   0.419  12.984   0.682
  154   2HB   ARG  23          1HB       ARG  23  -1.197  12.304   0.817
  155   1HG   ARG  23          2HG       ARG  23  -2.171  14.426   1.152
  156   2HG   ARG  23          1HG       ARG  23  -0.600  15.183   1.424
  157   1HD   ARG  23          2HD       ARG  23  -0.097  14.337  -0.993
  158   2HD   ARG  23          1HD       ARG  23  -1.853  14.271  -1.130
  159    HE   ARG  23           HE       ARG  23  -0.843  16.775  -0.130
  160   1HH1  ARG  23          1HH1      ARG  23  -1.658  14.944  -2.989
  161   2HH1  ARG  23          2HH1      ARG  23  -1.889  16.350  -3.974
  162   1HH2  ARG  23          1HH2      ARG  23  -1.140  18.622  -1.429
  163   2HH2  ARG  23          2HH2      ARG  23  -1.591  18.436  -3.091
  164    H    LYS  24           H        LYS  24  -1.832  14.774   3.275
  165    HA   LYS  24           HA       LYS  24  -4.272  13.462   3.684
  166   1HB   LYS  24          2HB       LYS  24  -4.466  13.579   6.160
  167   2HB   LYS  24          1HB       LYS  24  -3.309  12.377   5.608
  168   1HG   LYS  24          2HG       LYS  24  -2.404  15.117   6.419
  169   2HG   LYS  24          1HG       LYS  24  -2.709  13.864   7.617
  170   1HD   LYS  24          2HD       LYS  24  -1.188  12.508   5.828
  171   2HD   LYS  24          1HD       LYS  24  -0.517  14.133   5.678
  172   1HE   LYS  24          2HE       LYS  24  -0.906  13.557   8.442
  173   2HE   LYS  24          1HE       LYS  24  -0.045  12.207   7.703
  174   1HZ   LYS  24          1HZ       LYS  24   0.994  14.661   8.475
  175   2HZ   LYS  24          2HZ       LYS  24   1.042  14.643   6.784
  176   3HZ   LYS  24          3HZ       LYS  24   1.795  13.410   7.664
  Start of MODEL    5
    1   1H    PRO   1          1HT       PRO   1  -5.441  -8.974   2.728
    2   2H    PRO   1          2HT       PRO   1  -6.694  -8.031   3.229
    3    HA   PRO   1           HA       PRO   1  -5.774  -7.389   4.990
    4   1HB   PRO   1          2HB       PRO   1  -3.933  -9.462   5.753
    5   2HB   PRO   1          1HB       PRO   1  -5.423  -8.975   6.573
    6   1HG   PRO   1          2HG       PRO   1  -4.964 -11.156   4.624
    7   2HG   PRO   1          1HG       PRO   1  -6.162 -11.038   5.926
    8   1HD   PRO   1          2HD       PRO   1  -6.894 -10.793   3.371
    9   2HD   PRO   1          1HD       PRO   1  -7.631  -9.776   4.625
   10    H    CYS   2           H        CYS   2  -3.776  -6.280   5.366
   11    HA   CYS   2           HA       CYS   2  -2.152  -6.150   3.000
   12   1HB   CYS   2          2HB       CYS   2  -1.614  -4.563   5.453
   13   2HB   CYS   2          1HB       CYS   2  -1.383  -4.123   3.781
   14    HA   PRO   3           HA       PRO   3   1.139  -8.607   4.866
   15   1HB   PRO   3          2HB       PRO   3   2.607  -8.892   2.661
   16   2HB   PRO   3          1HB       PRO   3   1.074  -9.755   2.852
   17   1HG   PRO   3          2HG       PRO   3   1.655  -7.252   1.347
   18   2HG   PRO   3          1HG       PRO   3   0.673  -8.635   0.850
   19   1HD   PRO   3          2HD       PRO   3  -0.364  -6.299   1.879
   20   2HD   PRO   3          1HD       PRO   3  -1.165  -7.876   1.992
   21    HA   PRO   4           HA       PRO   4   4.076  -5.682   6.183
   22   1HB   PRO   4          2HB       PRO   4   6.404  -7.235   5.945
   23   2HB   PRO   4          1HB       PRO   4   5.330  -7.150   7.345
   24   1HG   PRO   4          2HG       PRO   4   5.415  -9.154   5.138
   25   2HG   PRO   4          1HG       PRO   4   5.087  -9.394   6.864
   26   1HD   PRO   4          2HD       PRO   4   3.106  -9.414   5.078
   27   2HD   PRO   4          1HD       PRO   4   2.885  -8.657   6.671
   28    H    VAL   5           H        VAL   5   4.732  -7.292   3.081
   29    HA   VAL   5           HA       VAL   5   6.837  -5.514   2.401
   30    HB   VAL   5           HB       VAL   5   6.886  -6.423   0.244
   31   1HG1  VAL   5          1HG1      VAL   5   7.339  -8.676   0.676
   32   2HG1  VAL   5          2HG1      VAL   5   6.063  -8.786   1.888
   33   3HG1  VAL   5          3HG1      VAL   5   7.536  -7.883   2.238
   34   1HG2  VAL   5          1HG2      VAL   5   5.237  -7.488  -0.899
   35   2HG2  VAL   5          2HG2      VAL   5   4.304  -6.353   0.071
   36   3HG2  VAL   5          3HG2      VAL   5   4.434  -8.044   0.566
   37    H    CYS   6           H        CYS   6   3.419  -5.320   2.267
   38    HA   CYS   6           HA       CYS   6   3.339  -3.192   0.338
   39   1HB   CYS   6          2HB       CYS   6   1.262  -4.183   2.299
   40   2HB   CYS   6          1HB       CYS   6   0.978  -3.018   0.998
   41    H    VAL   7           H        VAL   7   3.427  -3.486   3.831
   42    HA   VAL   7           HA       VAL   7   2.801  -0.839   4.459
   43    HB   VAL   7           HB       VAL   7   4.120  -3.082   5.984
   44   1HG1  VAL   7          1HG1      VAL   7   3.270  -1.172   7.829
   45   2HG1  VAL   7          2HG1      VAL   7   4.188  -0.266   6.626
   46   3HG1  VAL   7          3HG1      VAL   7   4.933  -1.630   7.461
   47   1HG2  VAL   7          1HG2      VAL   7   1.515  -2.520   5.314
   48   2HG2  VAL   7          2HG2      VAL   7   1.655  -2.019   7.001
   49   3HG2  VAL   7          3HG2      VAL   7   2.088  -3.667   6.527
   50    H    ALA   8           H        ALA   8   5.797  -2.584   3.969
   51    HA   ALA   8           HA       ALA   8   7.391  -0.212   4.396
   52   1HB   ALA   8          1HB       ALA   8   8.067  -3.034   3.608
   53   2HB   ALA   8          2HB       ALA   8   8.208  -2.316   5.213
   54   3HB   ALA   8          3HB       ALA   8   9.264  -1.770   3.908
   55    H    GLN   9           H        GLN   9   6.029  -1.888   1.619
   56    HA   GLN   9           HA       GLN   9   7.226   0.160  -0.068
   57   1HB   GLN   9          2HB       GLN   9   7.311  -2.685  -0.993
   58   2HB   GLN   9          1HB       GLN   9   8.222  -1.302  -1.587
   59   1HG   GLN   9          2HG       GLN   9   9.337  -1.297   0.714
   60   2HG   GLN   9          1HG       GLN   9   8.657  -2.912   0.895
   61   1HE2  GLN   9          1HE2      GLN   9   9.204  -4.480  -0.809
   62   2HE2  GLN   9          2HE2      GLN   9  10.771  -4.396  -1.530
   63    H    CYS  10           H        CYS  10   5.906   0.851  -1.668
   64    HA   CYS  10           HA       CYS  10   3.272  -0.351  -1.843
   65   1HB   CYS  10          2HB       CYS  10   3.724   2.163  -1.688
   66   2HB   CYS  10          1HB       CYS  10   4.280   2.063  -3.355
   67    H    VAL  11           H        VAL  11   4.225  -2.329  -2.845
   68    HA   VAL  11           HA       VAL  11   5.231  -2.110  -5.517
   69    HB   VAL  11           HB       VAL  11   4.830  -4.704  -5.399
   70   1HG1  VAL  11          1HG1      VAL  11   6.982  -3.464  -5.441
   71   2HG1  VAL  11          2HG1      VAL  11   7.027  -4.978  -4.538
   72   3HG1  VAL  11          3HG1      VAL  11   6.934  -3.441  -3.678
   73   1HG2  VAL  11          1HG2      VAL  11   4.650  -5.702  -3.329
   74   2HG2  VAL  11          2HG2      VAL  11   3.561  -4.332  -3.176
   75   3HG2  VAL  11          3HG2      VAL  11   5.174  -4.255  -2.462
   76    HA   PRO  12           HA       PRO  12   1.504  -2.328  -7.730
   77   1HB   PRO  12          2HB       PRO  12   1.995  -4.141  -9.726
   78   2HB   PRO  12          1HB       PRO  12   2.598  -2.482  -9.709
   79   1HG   PRO  12          2HG       PRO  12   4.005  -5.017  -9.071
   80   2HG   PRO  12          1HG       PRO  12   4.632  -3.537  -9.811
   81   1HD   PRO  12          2HD       PRO  12   5.036  -4.260  -7.190
   82   2HD   PRO  12          1HD       PRO  12   5.117  -2.600  -7.776
   83    H    THR  13           H        THR  13   2.604  -5.318  -6.388
   84    HA   THR  13           HA       THR  13   0.196  -6.746  -7.044
   85    HB   THR  13           HB       THR  13   1.207  -8.373  -5.269
   86    HG1  THR  13           1HG      THR  13   2.719  -6.619  -4.613
   87   1HG2  THR  13          1HG2      THR  13   3.046  -9.044  -6.943
   88   2HG2  THR  13          2HG2      THR  13   2.334  -7.796  -7.967
   89   3HG2  THR  13          3HG2      THR  13   1.354  -9.159  -7.427
   90    H    CYS  14           H        CYS  14   1.290  -4.668  -4.576
   91    HA   CYS  14           HA       CYS  14  -0.356  -5.553  -2.473
   92   1HB   CYS  14          2HB       CYS  14   1.120  -3.031  -3.102
   93   2HB   CYS  14          1HB       CYS  14   0.118  -3.161  -1.661
   94    HA   PRO  15           HA       PRO  15  -4.347  -3.763  -3.418
   95   1HB   PRO  15          2HB       PRO  15  -5.294  -3.565  -0.919
   96   2HB   PRO  15          1HB       PRO  15  -5.070  -5.127  -1.674
   97   1HG   PRO  15          2HG       PRO  15  -3.263  -3.664   0.168
   98   2HG   PRO  15          1HG       PRO  15  -3.851  -5.327   0.310
   99   1HD   PRO  15          2HD       PRO  15  -1.451  -4.800  -0.683
  100   2HD   PRO  15          1HD       PRO  15  -2.459  -6.074  -1.394
  101    H    GLN  16           H        GLN  16  -4.846  -1.762  -3.824
  102    HA   GLN  16           HA       GLN  16  -3.212   0.376  -3.327
  103   1HB   GLN  16          2HB       GLN  16  -4.890   0.258  -5.139
  104   2HB   GLN  16          1HB       GLN  16  -6.161   0.530  -3.972
  105   1HG   GLN  16          2HG       GLN  16  -5.867   2.707  -4.031
  106   2HG   GLN  16          1HG       GLN  16  -4.133   2.548  -3.752
  107   1HE2  GLN  16          1HE2      GLN  16  -3.337   1.190  -5.983
  108   2HE2  GLN  16          2HE2      GLN  16  -3.588   2.166  -7.387
  109    H    TYR  17           H        TYR  17  -5.979  -0.686  -1.483
  110    HA   TYR  17           HA       TYR  17  -6.066   1.654   0.090
  111   1HB   TYR  17          2HB       TYR  17  -7.514   0.242   1.637
  112   2HB   TYR  17          1HB       TYR  17  -8.097   0.461  -0.005
  113    HD1  TYR  17           1HD      TYR  17  -8.395  -1.381  -1.464
  114    HD2  TYR  17           2HD      TYR  17  -6.523  -1.953   2.318
  115    HE1  TYR  17           1HE      TYR  17  -8.726  -3.812  -1.671
  116    HE2  TYR  17           2HE      TYR  17  -6.833  -4.394   2.136
  117    HH   TYR  17           HH       TYR  17  -7.862  -5.868  -0.825
  118    H    CYS  18           H        CYS  18  -3.954  -1.007   0.177
  119    HA   CYS  18           HA       CYS  18  -3.369  -0.491   3.003
  120   1HB   CYS  18          2HB       CYS  18  -2.260  -2.516   1.081
  121   2HB   CYS  18          1HB       CYS  18  -1.803  -2.377   2.773
  122    H    CYS  19           H        CYS  19  -2.273   0.480  -0.080
  123    HA   CYS  19           HA       CYS  19   0.456   0.868   0.480
  124   1HB   CYS  19          2HB       CYS  19  -0.316   0.923  -1.806
  125   2HB   CYS  19          1HB       CYS  19  -1.273   2.371  -1.487
  126    HA   PRO  20           HA       PRO  20  -0.093   4.362   3.193
  127   1HB   PRO  20          2HB       PRO  20   2.446   4.743   3.930
  128   2HB   PRO  20          1HB       PRO  20   1.542   3.325   4.470
  129   1HG   PRO  20          2HG       PRO  20   3.527   3.561   2.235
  130   2HG   PRO  20          1HG       PRO  20   3.387   2.295   3.469
  131   1HD   PRO  20          2HD       PRO  20   2.387   2.062   0.920
  132   2HD   PRO  20          1HD       PRO  20   1.735   1.195   2.336
  133    H    ALA  21           H        ALA  21  -0.751   5.910   1.773
  134    HA   ALA  21           HA       ALA  21   0.967   7.154  -0.116
  135   1HB   ALA  21          1HB       ALA  21  -1.535   7.122  -0.265
  136   2HB   ALA  21          2HB       ALA  21  -0.781   8.691  -0.545
  137   3HB   ALA  21          3HB       ALA  21  -1.555   8.350   1.002
  138    H    LYS  22           H        LYS  22   2.620   8.244   0.365
  139    HA   LYS  22           HA       LYS  22   3.336   9.377   2.789
  140   1HB   LYS  22          2HB       LYS  22   5.085  10.588   1.487
  141   2HB   LYS  22          1HB       LYS  22   4.975   8.885   1.066
  142   1HG   LYS  22          2HG       LYS  22   3.396  10.792  -0.564
  143   2HG   LYS  22          1HG       LYS  22   5.149  10.795  -0.760
  144   1HD   LYS  22          2HD       LYS  22   4.267   8.093  -0.716
  145   2HD   LYS  22          1HD       LYS  22   3.238   8.985  -1.837
  146   1HE   LYS  22          2HE       LYS  22   4.937   9.397  -3.283
  147   2HE   LYS  22          1HE       LYS  22   6.147   9.493  -2.003
  148   1HZ   LYS  22          1HZ       LYS  22   5.764   6.983  -1.802
  149   2HZ   LYS  22          2HZ       LYS  22   6.670   7.545  -3.115
  150   3HZ   LYS  22          3HZ       LYS  22   5.054   7.096  -3.333
  151    H    ARG  23           H        ARG  23   1.445  10.589   3.543
  152    HA   ARG  23           HA       ARG  23   1.681  13.353   3.106
  153   1HB   ARG  23          2HB       ARG  23   0.621  12.809   0.950
  154   2HB   ARG  23          1HB       ARG  23  -0.743  12.102   1.805
  155   1HG   ARG  23          2HG       ARG  23  -0.234  14.792   2.711
  156   2HG   ARG  23          1HG       ARG  23  -0.458  14.737   0.962
  157   1HD   ARG  23          2HD       ARG  23  -2.369  13.125   2.502
  158   2HD   ARG  23          1HD       ARG  23  -2.474  14.863   2.784
  159    HE   ARG  23           HE       ARG  23  -3.384  13.485   0.504
  160   1HH1  ARG  23          1HH1      ARG  23  -1.715  16.418   1.399
  161   2HH1  ARG  23          2HH1      ARG  23  -2.248  17.294   0.005
  162   1HH2  ARG  23          1HH2      ARG  23  -4.086  14.638  -1.331
  163   2HH2  ARG  23          2HH2      ARG  23  -3.594  16.285  -1.545
  164    H    LYS  24           H        LYS  24   0.461  14.573   4.520
  165    HA   LYS  24           HA       LYS  24  -1.795  13.798   5.951
  166   1HB   LYS  24          2HB       LYS  24  -1.016  13.024   8.084
  167   2HB   LYS  24          1HB       LYS  24  -0.326  11.974   6.858
  168   1HG   LYS  24          2HG       LYS  24   1.818  12.783   7.190
  169   2HG   LYS  24          1HG       LYS  24   1.248  14.298   7.896
  170   1HD   LYS  24          2HD       LYS  24   0.246  12.512   9.661
  171   2HD   LYS  24          1HD       LYS  24   1.713  11.675   9.148
  172   1HE   LYS  24          2HE       LYS  24   2.172  14.497   9.663
  173   2HE   LYS  24          1HE       LYS  24   1.529  13.657  11.074
  174   1HZ   LYS  24          1HZ       LYS  24   4.003  13.046   9.564
  175   2HZ   LYS  24          2HZ       LYS  24   3.317  11.955  10.659
  176   3HZ   LYS  24          3HZ       LYS  24   3.853  13.466  11.196
  Start of MODEL    6
    1   1H    PRO   1          1HT       PRO   1  -5.890  -7.931   2.581
    2   2H    PRO   1          2HT       PRO   1  -7.122  -7.893   3.672
    3    HA   PRO   1           HA       PRO   1  -5.782  -7.233   5.061
    4   1HB   PRO   1          2HB       PRO   1  -4.052  -9.563   5.297
    5   2HB   PRO   1          1HB       PRO   1  -5.323  -9.011   6.398
    6   1HG   PRO   1          2HG       PRO   1  -5.540 -11.253   4.868
    7   2HG   PRO   1          1HG       PRO   1  -6.929 -10.286   5.390
    8   1HD   PRO   1          2HD       PRO   1  -5.507 -10.285   2.744
    9   2HD   PRO   1          1HD       PRO   1  -7.250 -10.263   3.080
   10    H    CYS   2           H        CYS   2  -3.687  -6.298   5.480
   11    HA   CYS   2           HA       CYS   2  -2.128  -6.077   3.048
   12   1HB   CYS   2          2HB       CYS   2  -1.621  -4.487   5.502
   13   2HB   CYS   2          1HB       CYS   2  -1.364  -4.054   3.837
   14    HA   PRO   3           HA       PRO   3   1.163  -8.531   4.936
   15   1HB   PRO   3          2HB       PRO   3   2.620  -8.837   2.724
   16   2HB   PRO   3          1HB       PRO   3   1.095  -9.707   2.942
   17   1HG   PRO   3          2HG       PRO   3   1.646  -7.228   1.389
   18   2HG   PRO   3          1HG       PRO   3   0.664  -8.622   0.927
   19   1HD   PRO   3          2HD       PRO   3  -0.368  -6.271   1.924
   20   2HD   PRO   3          1HD       PRO   3  -1.161  -7.849   2.072
   21    HA   PRO   4           HA       PRO   4   4.113  -5.585   6.181
   22   1HB   PRO   4          2HB       PRO   4   6.444  -7.136   5.939
   23   2HB   PRO   4          1HB       PRO   4   5.390  -7.026   7.351
   24   1HG   PRO   4          2HG       PRO   4   5.456  -9.076   5.188
   25   2HG   PRO   4          1HG       PRO   4   5.136  -9.277   6.921
   26   1HD   PRO   4          2HD       PRO   4   3.149  -9.335   5.136
   27   2HD   PRO   4          1HD       PRO   4   2.931  -8.559   6.721
   28    H    VAL   5           H        VAL   5   4.741  -7.247   3.100
   29    HA   VAL   5           HA       VAL   5   6.836  -5.478   2.360
   30    HB   VAL   5           HB       VAL   5   6.866  -6.433   0.228
   31   1HG1  VAL   5          1HG1      VAL   5   6.770  -8.093   2.564
   32   2HG1  VAL   5          2HG1      VAL   5   7.829  -8.208   1.159
   33   3HG1  VAL   5          3HG1      VAL   5   6.258  -9.008   1.147
   34   1HG2  VAL   5          1HG2      VAL   5   4.293  -6.342   0.049
   35   2HG2  VAL   5          2HG2      VAL   5   4.392  -8.016   0.606
   36   3HG2  VAL   5          3HG2      VAL   5   5.202  -7.532  -0.878
   37    H    CYS   6           H        CYS   6   3.417  -5.294   2.256
   38    HA   CYS   6           HA       CYS   6   3.324  -3.193   0.299
   39   1HB   CYS   6          2HB       CYS   6   1.250  -4.156   2.275
   40   2HB   CYS   6          1HB       CYS   6   0.967  -3.011   0.956
   41    H    VAL   7           H        VAL   7   3.448  -3.441   3.795
   42    HA   VAL   7           HA       VAL   7   2.813  -0.785   4.385
   43    HB   VAL   7           HB       VAL   7   4.150  -3.000   5.936
   44   1HG1  VAL   7          1HG1      VAL   7   5.065  -1.415   7.242
   45   2HG1  VAL   7          2HG1      VAL   7   3.420  -1.209   7.843
   46   3HG1  VAL   7          3HG1      VAL   7   4.041  -0.137   6.587
   47   1HG2  VAL   7          1HG2      VAL   7   1.698  -1.919   6.960
   48   2HG2  VAL   7          2HG2      VAL   7   2.125  -3.575   6.510
   49   3HG2  VAL   7          3HG2      VAL   7   1.540  -2.449   5.284
   50    H    ALA   8           H        ALA   8   5.813  -2.527   3.907
   51    HA   ALA   8           HA       ALA   8   7.406  -0.146   4.281
   52   1HB   ALA   8          1HB       ALA   8   8.047  -2.994   3.568
   53   2HB   ALA   8          2HB       ALA   8   8.270  -2.199   5.127
   54   3HB   ALA   8          3HB       ALA   8   9.270  -1.733   3.748
   55    H    GLN   9           H        GLN   9   6.022  -1.871   1.544
   56    HA   GLN   9           HA       GLN   9   7.211   0.144  -0.188
   57   1HB   GLN   9          2HB       GLN   9   7.262  -2.708  -1.093
   58   2HB   GLN   9          1HB       GLN   9   8.199  -1.342  -1.681
   59   1HG   GLN   9          2HG       GLN   9   9.316  -1.358   0.614
   60   2HG   GLN   9          1HG       GLN   9   8.598  -2.955   0.808
   61   1HE2  GLN   9          1HE2      GLN   9   9.107  -4.555  -0.868
   62   2HE2  GLN   9          2HE2      GLN   9  10.672  -4.515  -1.599
   63    H    CYS  10           H        CYS  10   5.859   0.839  -1.754
   64    HA   CYS  10           HA       CYS  10   3.222  -0.362  -1.895
   65   1HB   CYS  10          2HB       CYS  10   3.696   2.155  -1.760
   66   2HB   CYS  10          1HB       CYS  10   4.216   2.038  -3.438
   67    H    VAL  11           H        VAL  11   4.156  -2.353  -2.894
   68    HA   VAL  11           HA       VAL  11   5.157  -2.134  -5.568
   69    HB   VAL  11           HB       VAL  11   4.799  -4.729  -5.457
   70   1HG1  VAL  11          1HG1      VAL  11   6.881  -3.305  -3.823
   71   2HG1  VAL  11          2HG1      VAL  11   6.940  -3.592  -5.563
   72   3HG1  VAL  11          3HG1      VAL  11   6.999  -4.952  -4.441
   73   1HG2  VAL  11          1HG2      VAL  11   3.507  -4.461  -3.271
   74   2HG2  VAL  11          2HG2      VAL  11   5.080  -4.216  -2.509
   75   3HG2  VAL  11          3HG2      VAL  11   4.725  -5.726  -3.350
   76    HA   PRO  12           HA       PRO  12   1.495  -2.481  -7.885
   77   1HB   PRO  12          2HB       PRO  12   2.504  -4.752  -9.457
   78   2HB   PRO  12          1HB       PRO  12   2.144  -3.102  -9.973
   79   1HG   PRO  12          2HG       PRO  12   4.670  -4.014  -9.767
   80   2HG   PRO  12          1HG       PRO  12   4.243  -2.328  -9.419
   81   1HD   PRO  12          2HD       PRO  12   4.775  -4.581  -7.516
   82   2HD   PRO  12          1HD       PRO  12   5.260  -2.876  -7.409
   83    H    THR  13           H        THR  13   2.582  -5.455  -6.434
   84    HA   THR  13           HA       THR  13   0.149  -6.856  -7.018
   85    HB   THR  13           HB       THR  13   1.137  -8.473  -5.248
   86    HG1  THR  13           1HG      THR  13   3.030  -8.000  -4.470
   87   1HG2  THR  13          1HG2      THR  13   1.982  -7.970  -7.989
   88   2HG2  THR  13          2HG2      THR  13   1.543  -9.479  -7.188
   89   3HG2  THR  13          3HG2      THR  13   3.174  -8.830  -7.016
   90    H    CYS  14           H        CYS  14   1.260  -4.716  -4.612
   91    HA   CYS  14           HA       CYS  14  -0.391  -5.567  -2.492
   92   1HB   CYS  14          2HB       CYS  14   1.107  -3.061  -3.133
   93   2HB   CYS  14          1HB       CYS  14   0.103  -3.182  -1.692
   94    HA   PRO  15           HA       PRO  15  -4.358  -3.753  -3.479
   95   1HB   PRO  15          2HB       PRO  15  -5.332  -3.565  -0.987
   96   2HB   PRO  15          1HB       PRO  15  -5.109  -5.123  -1.752
   97   1HG   PRO  15          2HG       PRO  15  -3.313  -3.686   0.123
   98   2HG   PRO  15          1HG       PRO  15  -3.912  -5.347   0.242
   99   1HD   PRO  15          2HD       PRO  15  -1.497  -4.823  -0.722
  100   2HD   PRO  15          1HD       PRO  15  -2.505  -6.087  -1.450
  101    H    GLN  16           H        GLN  16  -4.842  -1.744  -3.878
  102    HA   GLN  16           HA       GLN  16  -3.204   0.383  -3.354
  103   1HB   GLN  16          2HB       GLN  16  -4.865   0.280  -5.179
  104   2HB   GLN  16          1HB       GLN  16  -6.146   0.545  -4.021
  105   1HG   GLN  16          2HG       GLN  16  -5.786   2.623  -4.946
  106   2HG   GLN  16          1HG       GLN  16  -4.925   2.684  -3.411
  107   1HE2  GLN  16          1HE2      GLN  16  -4.108   1.372  -6.609
  108   2HE2  GLN  16          2HE2      GLN  16  -2.629   2.248  -6.778
  109    H    TYR  17           H        TYR  17  -5.984  -0.684  -1.533
  110    HA   TYR  17           HA       TYR  17  -6.070   1.654   0.047
  111   1HB   TYR  17          2HB       TYR  17  -7.539   0.254   1.578
  112   2HB   TYR  17          1HB       TYR  17  -8.107   0.470  -0.071
  113    HD1  TYR  17           1HD      TYR  17  -8.404  -1.375  -1.524
  114    HD2  TYR  17           2HD      TYR  17  -6.558  -1.941   2.271
  115    HE1  TYR  17           1HE      TYR  17  -8.745  -3.806  -1.723
  116    HE2  TYR  17           2HE      TYR  17  -6.877  -4.380   2.097
  117    HH   TYR  17           HH       TYR  17  -8.936  -5.790  -0.087
  118    H    CYS  18           H        CYS  18  -3.978  -1.023   0.133
  119    HA   CYS  18           HA       CYS  18  -3.407  -0.528   2.964
  120   1HB   CYS  18          2HB       CYS  18  -2.302  -2.540   1.027
  121   2HB   CYS  18          1HB       CYS  18  -1.803  -2.393   2.703
  122    H    CYS  19           H        CYS  19  -2.281   0.445  -0.118
  123    HA   CYS  19           HA       CYS  19   0.432   0.862   0.469
  124   1HB   CYS  19          2HB       CYS  19  -0.359   0.936  -1.818
  125   2HB   CYS  19          1HB       CYS  19  -1.296   2.391  -1.476
  126    HA   PRO  20           HA       PRO  20  -0.198   4.289   3.246
  127   1HB   PRO  20          2HB       PRO  20   2.323   4.702   4.016
  128   2HB   PRO  20          1HB       PRO  20   1.440   3.253   4.514
  129   1HG   PRO  20          2HG       PRO  20   3.443   3.578   2.305
  130   2HG   PRO  20          1HG       PRO  20   3.316   2.282   3.510
  131   1HD   PRO  20          2HD       PRO  20   2.344   2.082   0.946
  132   2HD   PRO  20          1HD       PRO  20   1.691   1.181   2.338
  133    H    ALA  21           H        ALA  21  -0.878   5.838   1.834
  134    HA   ALA  21           HA       ALA  21   0.927   7.225   0.096
  135   1HB   ALA  21          1HB       ALA  21  -1.896   7.851   0.929
  136   2HB   ALA  21          2HB       ALA  21  -1.360   7.105  -0.579
  137   3HB   ALA  21          3HB       ALA  21  -0.969   8.792  -0.240
  138    H    LYS  22           H        LYS  22   2.403   8.499   0.815
  139    HA   LYS  22           HA       LYS  22   2.575   9.586   3.396
  140   1HB   LYS  22          2HB       LYS  22   4.005  10.292   0.826
  141   2HB   LYS  22          1HB       LYS  22   4.295  11.200   2.301
  142   1HG   LYS  22          2HG       LYS  22   4.469   8.309   2.678
  143   2HG   LYS  22          1HG       LYS  22   5.640   8.952   1.525
  144   1HD   LYS  22          2HD       LYS  22   5.196  10.042   4.303
  145   2HD   LYS  22          1HD       LYS  22   6.464   8.894   3.870
  146   1HE   LYS  22          2HE       LYS  22   7.751  10.646   3.400
  147   2HE   LYS  22          1HE       LYS  22   6.712  10.937   2.005
  148   1HZ   LYS  22          1HZ       LYS  22   6.615  12.940   3.081
  149   2HZ   LYS  22          2HZ       LYS  22   6.715  12.261   4.626
  150   3HZ   LYS  22          3HZ       LYS  22   5.267  12.173   3.757
  151    H    ARG  23           H        ARG  23   0.426  10.523   3.747
  152    HA   ARG  23           HA       ARG  23   0.398  13.308   3.552
  153   1HB   ARG  23          2HB       ARG  23  -0.033  12.678   1.116
  154   2HB   ARG  23          1HB       ARG  23  -1.588  12.062   1.655
  155   1HG   ARG  23          2HG       ARG  23  -0.997  14.779   2.557
  156   2HG   ARG  23          1HG       ARG  23  -1.115  14.599   0.805
  157   1HD   ARG  23          2HD       ARG  23  -3.311  13.632   1.008
  158   2HD   ARG  23          1HD       ARG  23  -3.186  13.619   2.764
  159    HE   ARG  23           HE       ARG  23  -3.249  16.049   2.696
  160   1HH1  ARG  23          1HH1      ARG  23  -4.267  14.378  -0.208
  161   2HH1  ARG  23          2HH1      ARG  23  -5.205  15.712  -0.786
  162   1HH2  ARG  23          1HH2      ARG  23  -4.482  17.792   1.923
  163   2HH2  ARG  23          2HH2      ARG  23  -5.327  17.645   0.419
  164    H    LYS  24           H        LYS  24  -1.588  14.255   4.393
  165    HA   LYS  24           HA       LYS  24  -3.868  12.892   5.193
  166   1HB   LYS  24          2HB       LYS  24  -3.583  12.096   7.369
  167   2HB   LYS  24          1HB       LYS  24  -2.121  11.550   6.571
  168   1HG   LYS  24          2HG       LYS  24  -1.086  12.409   8.354
  169   2HG   LYS  24          1HG       LYS  24  -1.332  13.967   7.566
  170   1HD   LYS  24          2HD       LYS  24  -2.213  14.398   9.640
  171   2HD   LYS  24          1HD       LYS  24  -3.656  13.861   8.779
  172   1HE   LYS  24          2HE       LYS  24  -3.834  12.580  10.659
  173   2HE   LYS  24          1HE       LYS  24  -2.869  11.498   9.656
  174   1HZ   LYS  24          1HZ       LYS  24  -1.496  13.423  11.396
  175   2HZ   LYS  24          2HZ       LYS  24  -0.991  11.894  10.875
  176   3HZ   LYS  24          3HZ       LYS  24  -2.160  12.030  12.090
  Start of MODEL    7
    1   1H    PRO   1          1HT       PRO   1  -5.714  -8.452   2.657
    2   2H    PRO   1          2HT       PRO   1  -7.002  -8.113   3.621
    3    HA   PRO   1           HA       PRO   1  -5.763  -7.326   5.033
    4   1HB   PRO   1          2HB       PRO   1  -4.027  -9.654   5.533
    5   2HB   PRO   1          1HB       PRO   1  -5.179  -8.861   6.619
    6   1HG   PRO   1          2HG       PRO   1  -5.673 -11.275   5.547
    7   2HG   PRO   1          1HG       PRO   1  -6.962 -10.094   5.851
    8   1HD   PRO   1          2HD       PRO   1  -5.565 -10.750   3.272
    9   2HD   PRO   1          1HD       PRO   1  -7.298 -10.528   3.580
   10    H    CYS   2           H        CYS   2  -3.737  -6.281   5.379
   11    HA   CYS   2           HA       CYS   2  -2.144  -6.161   2.987
   12   1HB   CYS   2          2HB       CYS   2  -1.571  -4.578   5.437
   13   2HB   CYS   2          1HB       CYS   2  -1.351  -4.138   3.763
   14    HA   PRO   3           HA       PRO   3   1.167  -8.625   4.808
   15   1HB   PRO   3          2HB       PRO   3   2.630  -8.875   2.596
   16   2HB   PRO   3          1HB       PRO   3   1.098  -9.741   2.774
   17   1HG   PRO   3          2HG       PRO   3   1.677  -7.213   1.311
   18   2HG   PRO   3          1HG       PRO   3   0.694  -8.588   0.791
   19   1HD   PRO   3          2HD       PRO   3  -0.341  -6.268   1.860
   20   2HD   PRO   3          1HD       PRO   3  -1.146  -7.845   1.949
   21    HA   PRO   4           HA       PRO   4   4.075  -5.676   6.155
   22   1HB   PRO   4          2HB       PRO   4   6.412  -7.219   5.932
   23   2HB   PRO   4          1HB       PRO   4   5.337  -7.126   7.329
   24   1HG   PRO   4          2HG       PRO   4   5.441  -9.153   5.146
   25   2HG   PRO   4          1HG       PRO   4   5.090  -9.370   6.871
   26   1HD   PRO   4          2HD       PRO   4   3.137  -9.414   5.047
   27   2HD   PRO   4          1HD       PRO   4   2.886  -8.654   6.634
   28    H    VAL   5           H        VAL   5   4.750  -7.281   3.061
   29    HA   VAL   5           HA       VAL   5   6.861  -5.507   2.389
   30    HB   VAL   5           HB       VAL   5   6.923  -6.427   0.238
   31   1HG1  VAL   5          1HG1      VAL   5   6.795  -8.123   2.540
   32   2HG1  VAL   5          2HG1      VAL   5   7.858  -8.231   1.136
   33   3HG1  VAL   5          3HG1      VAL   5   6.278  -9.012   1.108
   34   1HG2  VAL   5          1HG2      VAL   5   5.274  -7.474  -0.927
   35   2HG2  VAL   5          2HG2      VAL   5   4.340  -6.330   0.032
   36   3HG2  VAL   5          3HG2      VAL   5   4.447  -8.022   0.528
   37    H    CYS   6           H        CYS   6   3.450  -5.308   2.244
   38    HA   CYS   6           HA       CYS   6   3.367  -3.180   0.320
   39   1HB   CYS   6          2HB       CYS   6   1.303  -4.183   2.281
   40   2HB   CYS   6          1HB       CYS   6   1.012  -2.996   1.004
   41    H    VAL   7           H        VAL   7   3.399  -3.482   3.817
   42    HA   VAL   7           HA       VAL   7   2.813  -0.830   4.439
   43    HB   VAL   7           HB       VAL   7   4.124  -3.078   5.965
   44   1HG1  VAL   7          1HG1      VAL   7   4.180  -0.262   6.614
   45   2HG1  VAL   7          2HG1      VAL   7   4.926  -1.624   7.451
   46   3HG1  VAL   7          3HG1      VAL   7   3.260  -1.174   7.811
   47   1HG2  VAL   7          1HG2      VAL   7   1.652  -2.025   6.972
   48   2HG2  VAL   7          2HG2      VAL   7   2.090  -3.670   6.492
   49   3HG2  VAL   7          3HG2      VAL   7   1.522  -2.518   5.280
   50    H    ALA   8           H        ALA   8   5.776  -2.597   3.896
   51    HA   ALA   8           HA       ALA   8   7.408  -0.255   4.351
   52   1HB   ALA   8          1HB       ALA   8   9.164  -1.706   4.446
   53   2HB   ALA   8          2HB       ALA   8   8.507  -2.738   3.174
   54   3HB   ALA   8          3HB       ALA   8   7.852  -2.830   4.809
   55    H    GLN   9           H        GLN   9   6.022  -1.888   1.554
   56    HA   GLN   9           HA       GLN   9   7.183   0.199  -0.106
   57   1HB   GLN   9          2HB       GLN   9   7.348  -2.710  -0.875
   58   2HB   GLN   9          1HB       GLN   9   7.938  -1.344  -1.805
   59   1HG   GLN   9          2HG       GLN   9   9.749  -1.022  -0.455
   60   2HG   GLN   9          1HG       GLN   9   8.988  -1.787   0.936
   61   1HE2  GLN   9          1HE2      GLN   9   8.215  -4.180   0.039
   62   2HE2  GLN   9          2HE2      GLN   9   9.569  -5.114  -0.488
   63    H    CYS  10           H        CYS  10   5.890   0.858  -1.745
   64    HA   CYS  10           HA       CYS  10   3.236  -0.310  -1.886
   65   1HB   CYS  10          2HB       CYS  10   3.734   2.207  -1.763
   66   2HB   CYS  10          1HB       CYS  10   4.259   2.072  -3.438
   67    H    VAL  11           H        VAL  11   4.291  -2.303  -2.857
   68    HA   VAL  11           HA       VAL  11   5.266  -2.091  -5.533
   69    HB   VAL  11           HB       VAL  11   4.874  -4.692  -5.417
   70   1HG1  VAL  11          1HG1      VAL  11   7.090  -4.937  -4.550
   71   2HG1  VAL  11          2HG1      VAL  11   6.996  -3.362  -3.762
   72   3HG1  VAL  11          3HG1      VAL  11   7.014  -3.469  -5.522
   73   1HG2  VAL  11          1HG2      VAL  11   4.730  -5.680  -3.337
   74   2HG2  VAL  11          2HG2      VAL  11   3.646  -4.307  -3.163
   75   3HG2  VAL  11          3HG2      VAL  11   5.273  -4.231  -2.487
   76    HA   PRO  12           HA       PRO  12   1.622  -2.445  -7.874
   77   1HB   PRO  12          2HB       PRO  12   2.590  -4.718  -9.448
   78   2HB   PRO  12          1HB       PRO  12   2.305  -3.050  -9.948
   79   1HG   PRO  12          2HG       PRO  12   4.789  -4.093  -9.701
   80   2HG   PRO  12          1HG       PRO  12   4.434  -2.382  -9.401
   81   1HD   PRO  12          2HD       PRO  12   4.861  -4.603  -7.442
   82   2HD   PRO  12          1HD       PRO  12   5.387  -2.909  -7.359
   83    H    THR  13           H        THR  13   2.644  -5.390  -6.351
   84    HA   THR  13           HA       THR  13   0.206  -6.778  -6.970
   85    HB   THR  13           HB       THR  13   1.147  -8.415  -5.216
   86    HG1  THR  13           1HG      THR  13   2.705  -7.472  -4.148
   87   1HG2  THR  13          1HG2      THR  13   2.264  -9.552  -6.800
   88   2HG2  THR  13          2HG2      THR  13   3.175  -8.137  -7.332
   89   3HG2  THR  13          3HG2      THR  13   1.503  -8.356  -7.848
   90    H    CYS  14           H        CYS  14   1.329  -4.635  -4.569
   91    HA   CYS  14           HA       CYS  14  -0.313  -5.472  -2.449
   92   1HB   CYS  14          2HB       CYS  14   1.145  -2.955  -3.119
   93   2HB   CYS  14          1HB       CYS  14   0.156  -3.083  -1.665
   94    HA   PRO  15           HA       PRO  15  -4.320  -3.730  -3.404
   95   1HB   PRO  15          2HB       PRO  15  -5.267  -3.551  -0.901
   96   2HB   PRO  15          1HB       PRO  15  -5.031  -5.107  -1.663
   97   1HG   PRO  15          2HG       PRO  15  -3.229  -3.638   0.182
   98   2HG   PRO  15          1HG       PRO  15  -3.804  -5.306   0.318
   99   1HD   PRO  15          2HD       PRO  15  -1.409  -4.755  -0.679
  100   2HD   PRO  15          1HD       PRO  15  -2.409  -6.034  -1.392
  101    H    GLN  16           H        GLN  16  -4.834  -1.735  -3.800
  102    HA   GLN  16           HA       GLN  16  -3.212   0.408  -3.304
  103   1HB   GLN  16          2HB       GLN  16  -4.902   0.288  -5.110
  104   2HB   GLN  16          1HB       GLN  16  -6.166   0.558  -3.935
  105   1HG   GLN  16          2HG       GLN  16  -5.863   2.735  -3.967
  106   2HG   GLN  16          1HG       GLN  16  -4.121   2.571  -3.745
  107   1HE2  GLN  16          1HE2      GLN  16  -3.454   1.175  -6.036
  108   2HE2  GLN  16          2HE2      GLN  16  -3.733   2.177  -7.415
  109    H    TYR  17           H        TYR  17  -5.966  -0.669  -1.452
  110    HA   TYR  17           HA       TYR  17  -6.046   1.664   0.134
  111   1HB   TYR  17          2HB       TYR  17  -7.484   0.241   1.682
  112   2HB   TYR  17          1HB       TYR  17  -8.080   0.475   0.046
  113    HD1  TYR  17           1HD      TYR  17  -8.384  -1.357  -1.427
  114    HD2  TYR  17           2HD      TYR  17  -6.498  -1.956   2.339
  115    HE1  TYR  17           1HE      TYR  17  -8.724  -3.785  -1.647
  116    HE2  TYR  17           2HE      TYR  17  -6.816  -4.391   2.146
  117    HH   TYR  17           HH       TYR  17  -8.805  -5.848   0.493
  118    H    CYS  18           H        CYS  18  -3.932  -0.991   0.200
  119    HA   CYS  18           HA       CYS  18  -3.337  -0.479   3.024
  120   1HB   CYS  18          2HB       CYS  18  -2.225  -2.496   1.096
  121   2HB   CYS  18          1HB       CYS  18  -1.772  -2.364   2.789
  122    H    CYS  19           H        CYS  19  -2.245   0.467  -0.079
  123    HA   CYS  19           HA       CYS  19   0.478   0.872   0.478
  124   1HB   CYS  19          2HB       CYS  19  -0.286   0.925  -1.807
  125   2HB   CYS  19          1HB       CYS  19  -1.262   2.361  -1.492
  126    HA   PRO  20           HA       PRO  20  -0.102   4.340   3.212
  127   1HB   PRO  20          2HB       PRO  20   2.441   4.761   3.931
  128   2HB   PRO  20          1HB       PRO  20   1.557   3.332   4.481
  129   1HG   PRO  20          2HG       PRO  20   3.529   3.588   2.238
  130   2HG   PRO  20          1HG       PRO  20   3.404   2.320   3.471
  131   1HD   PRO  20          2HD       PRO  20   2.401   2.080   0.923
  132   2HD   PRO  20          1HD       PRO  20   1.759   1.207   2.338
  133    H    ALA  21           H        ALA  21  -0.796   5.875   1.790
  134    HA   ALA  21           HA       ALA  21   1.001   7.220  -0.004
  135   1HB   ALA  21          1HB       ALA  21  -1.419   6.936  -0.480
  136   2HB   ALA  21          2HB       ALA  21  -0.844   8.599  -0.611
  137   3HB   ALA  21          3HB       ALA  21  -1.760   8.091   0.809
  138    H    LYS  22           H        LYS  22   2.467   8.504   0.700
  139    HA   LYS  22           HA       LYS  22   2.099  10.025   3.165
  140   1HB   LYS  22          2HB       LYS  22   4.474   9.126   1.661
  141   2HB   LYS  22          1HB       LYS  22   4.601  10.769   2.262
  142   1HG   LYS  22          2HG       LYS  22   3.602   8.768   4.179
  143   2HG   LYS  22          1HG       LYS  22   5.287   8.614   3.682
  144   1HD   LYS  22          2HD       LYS  22   5.738  10.149   5.245
  145   2HD   LYS  22          1HD       LYS  22   5.007  11.319   4.146
  146   1HE   LYS  22          2HE       LYS  22   2.855  11.026   5.217
  147   2HE   LYS  22          1HE       LYS  22   3.518   9.771   6.262
  148   1HZ   LYS  22          1HZ       LYS  22   5.130  12.006   6.577
  149   2HZ   LYS  22          2HZ       LYS  22   4.040  11.359   7.696
  150   3HZ   LYS  22          3HZ       LYS  22   3.535  12.570   6.630
  151    H    ARG  23           H        ARG  23   0.506  11.576   2.462
  152    HA   ARG  23           HA       ARG  23   1.596  13.999   1.555
  153   1HB   ARG  23          2HB       ARG  23   1.598  12.656  -0.602
  154   2HB   ARG  23          1HB       ARG  23  -0.158  12.701  -0.525
  155   1HG   ARG  23          2HG       ARG  23  -0.268  14.863  -1.144
  156   2HG   ARG  23          1HG       ARG  23   1.203  15.299  -0.274
  157   1HD   ARG  23          2HD       ARG  23   2.547  14.245  -2.030
  158   2HD   ARG  23          1HD       ARG  23   1.075  13.798  -2.887
  159    HE   ARG  23           HE       ARG  23   1.123  15.866  -3.814
  160   1HH1  ARG  23          1HH1      ARG  23   2.705  16.078  -0.705
  161   2HH1  ARG  23          2HH1      ARG  23   3.011  17.776  -0.841
  162   1HH2  ARG  23          1HH2      ARG  23   1.556  18.093  -4.000
  163   2HH2  ARG  23          2HH2      ARG  23   2.367  18.917  -2.710
  164    H    LYS  24           H        LYS  24  -0.056  15.690   1.253
  165    HA   LYS  24           HA       LYS  24  -2.801  15.212   1.695
  166   1HB   LYS  24          2HB       LYS  24  -2.572  16.555   4.046
  167   2HB   LYS  24          1HB       LYS  24  -2.768  14.818   3.915
  168   1HG   LYS  24          2HG       LYS  24  -0.998  15.540   5.494
  169   2HG   LYS  24          1HG       LYS  24  -0.429  14.453   4.229
  170   1HD   LYS  24          2HD       LYS  24   1.205  15.978   3.970
  171   2HD   LYS  24          1HD       LYS  24  -0.013  16.890   3.082
  172   1HE   LYS  24          2HE       LYS  24   0.171  17.182   6.046
  173   2HE   LYS  24          1HE       LYS  24   1.335  18.017   5.020
  174   1HZ   LYS  24          1HZ       LYS  24  -0.255  19.383   4.167
  175   2HZ   LYS  24          2HZ       LYS  24  -0.923  19.128   5.700
  176   3HZ   LYS  24          3HZ       LYS  24  -1.511  18.266   4.369
  Start of MODEL    8
    1   1H    PRO   1          1HT       PRO   1  -5.686  -8.255   2.653
    2   2H    PRO   1          2HT       PRO   1  -6.957  -7.989   3.663
    3    HA   PRO   1           HA       PRO   1  -5.686  -7.236   5.063
    4   1HB   PRO   1          2HB       PRO   1  -3.954  -9.575   5.485
    5   2HB   PRO   1          1HB       PRO   1  -5.124  -8.835   6.589
    6   1HG   PRO   1          2HG       PRO   1  -5.575 -11.215   5.412
    7   2HG   PRO   1          1HG       PRO   1  -6.881 -10.067   5.768
    8   1HD   PRO   1          2HD       PRO   1  -5.467 -10.576   3.162
    9   2HD   PRO   1          1HD       PRO   1  -7.206 -10.407   3.476
   10    H    CYS   2           H        CYS   2  -3.613  -6.241   5.434
   11    HA   CYS   2           HA       CYS   2  -2.053  -6.106   3.009
   12   1HB   CYS   2          2HB       CYS   2  -1.490  -4.492   5.439
   13   2HB   CYS   2          1HB       CYS   2  -1.278  -4.069   3.759
   14    HA   PRO   3           HA       PRO   3   1.261  -8.549   4.869
   15   1HB   PRO   3          2HB       PRO   3   2.713  -8.836   2.649
   16   2HB   PRO   3          1HB       PRO   3   1.186  -9.706   2.858
   17   1HG   PRO   3          2HG       PRO   3   1.743  -7.205   1.339
   18   2HG   PRO   3          1HG       PRO   3   0.765  -8.595   0.854
   19   1HD   PRO   3          2HD       PRO   3  -0.276  -6.262   1.876
   20   2HD   PRO   3          1HD       PRO   3  -1.067  -7.842   2.010
   21    HA   PRO   4           HA       PRO   4   4.194  -5.593   6.137
   22   1HB   PRO   4          2HB       PRO   4   6.528  -7.143   5.888
   23   2HB   PRO   4          1HB       PRO   4   5.485  -7.017   7.306
   24   1HG   PRO   4          2HG       PRO   4   5.548  -9.097   5.178
   25   2HG   PRO   4          1HG       PRO   4   5.206  -9.265   6.911
   26   1HD   PRO   4          2HD       PRO   4   3.247  -9.343   5.084
   27   2HD   PRO   4          1HD       PRO   4   3.003  -8.570   6.666
   28    H    VAL   5           H        VAL   5   4.837  -7.245   3.055
   29    HA   VAL   5           HA       VAL   5   6.928  -5.476   2.316
   30    HB   VAL   5           HB       VAL   5   6.963  -6.428   0.187
   31   1HG1  VAL   5          1HG1      VAL   5   7.815  -8.327   0.974
   32   2HG1  VAL   5          2HG1      VAL   5   6.194  -8.982   1.210
   33   3HG1  VAL   5          3HG1      VAL   5   6.962  -8.047   2.492
   34   1HG2  VAL   5          1HG2      VAL   5   4.472  -7.989   0.494
   35   2HG2  VAL   5          2HG2      VAL   5   5.295  -7.447  -0.964
   36   3HG2  VAL   5          3HG2      VAL   5   4.378  -6.296   0.003
   37    H    CYS   6           H        CYS   6   3.510  -5.279   2.233
   38    HA   CYS   6           HA       CYS   6   3.403  -3.166   0.287
   39   1HB   CYS   6          2HB       CYS   6   1.351  -4.156   2.271
   40   2HB   CYS   6          1HB       CYS   6   1.049  -2.981   0.982
   41    H    VAL   7           H        VAL   7   3.540  -3.429   3.782
   42    HA   VAL   7           HA       VAL   7   2.914  -0.773   4.377
   43    HB   VAL   7           HB       VAL   7   4.266  -2.980   5.923
   44   1HG1  VAL   7          1HG1      VAL   7   5.091  -0.710   6.658
   45   2HG1  VAL   7          2HG1      VAL   7   4.246  -1.649   7.890
   46   3HG1  VAL   7          3HG1      VAL   7   3.419  -0.326   7.064
   47   1HG2  VAL   7          1HG2      VAL   7   1.834  -1.999   7.007
   48   2HG2  VAL   7          2HG2      VAL   7   2.230  -3.603   6.379
   49   3HG2  VAL   7          3HG2      VAL   7   1.626  -2.353   5.290
   50    H    ALA   8           H        ALA   8   5.906  -2.508   3.857
   51    HA   ALA   8           HA       ALA   8   7.494  -0.117   4.215
   52   1HB   ALA   8          1HB       ALA   8   8.446  -2.093   5.064
   53   2HB   ALA   8          2HB       ALA   8   9.346  -1.743   3.586
   54   3HB   ALA   8          3HB       ALA   8   8.091  -2.986   3.586
   55    H    GLN   9           H        GLN   9   6.111  -1.867   1.490
   56    HA   GLN   9           HA       GLN   9   7.292   0.137  -0.267
   57   1HB   GLN   9          2HB       GLN   9   7.245  -2.733  -1.138
   58   2HB   GLN   9          1HB       GLN   9   8.147  -1.390  -1.822
   59   1HG   GLN   9          2HG       GLN   9   9.895  -2.127  -0.707
   60   2HG   GLN   9          1HG       GLN   9   9.096  -1.595   0.764
   61   1HE2  GLN   9          1HE2      GLN   9   9.525  -4.354  -1.393
   62   2HE2  GLN   9          2HE2      GLN   9   9.232  -5.563  -0.196
   63    H    CYS  10           H        CYS  10   5.897   0.898  -1.762
   64    HA   CYS  10           HA       CYS  10   3.244  -0.267  -1.877
   65   1HB   CYS  10          2HB       CYS  10   3.733   2.237  -1.728
   66   2HB   CYS  10          1HB       CYS  10   4.280   2.134  -3.396
   67    H    VAL  11           H        VAL  11   4.264  -2.250  -2.893
   68    HA   VAL  11           HA       VAL  11   5.179  -2.011  -5.588
   69    HB   VAL  11           HB       VAL  11   4.829  -4.615  -5.474
   70   1HG1  VAL  11          1HG1      VAL  11   6.973  -3.259  -3.868
   71   2HG1  VAL  11          2HG1      VAL  11   6.947  -3.360  -5.630
   72   3HG1  VAL  11          3HG1      VAL  11   7.068  -4.829  -4.664
   73   1HG2  VAL  11          1HG2      VAL  11   3.651  -4.271  -3.194
   74   2HG2  VAL  11          2HG2      VAL  11   5.289  -4.152  -2.553
   75   3HG2  VAL  11          3HG2      VAL  11   4.767  -5.613  -3.393
   76    HA   PRO  12           HA       PRO  12   1.488  -2.391  -7.846
   77   1HB   PRO  12          2HB       PRO  12   2.493  -4.639  -9.450
   78   2HB   PRO  12          1HB       PRO  12   2.110  -2.989  -9.947
   79   1HG   PRO  12          2HG       PRO  12   4.648  -3.881  -9.785
   80   2HG   PRO  12          1HG       PRO  12   4.211  -2.200  -9.426
   81   1HD   PRO  12          2HD       PRO  12   4.794  -4.454  -7.539
   82   2HD   PRO  12          1HD       PRO  12   5.263  -2.746  -7.431
   83    H    THR  13           H        THR  13   2.629  -5.362  -6.433
   84    HA   THR  13           HA       THR  13   0.207  -6.791  -6.986
   85    HB   THR  13           HB       THR  13   1.182  -8.415  -5.246
   86    HG1  THR  13           1HG      THR  13   3.327  -6.600  -5.544
   87   1HG2  THR  13          1HG2      THR  13   2.041  -7.903  -7.962
   88   2HG2  THR  13          2HG2      THR  13   1.669  -9.424  -7.151
   89   3HG2  THR  13          3HG2      THR  13   3.273  -8.708  -6.991
   90    H    CYS  14           H        CYS  14   1.331  -4.648  -4.589
   91    HA   CYS  14           HA       CYS  14  -0.283  -5.508  -2.456
   92   1HB   CYS  14          2HB       CYS  14   1.163  -2.983  -3.135
   93   2HB   CYS  14          1HB       CYS  14   0.179  -3.111  -1.679
   94    HA   PRO  15           HA       PRO  15  -4.305  -3.815  -3.418
   95   1HB   PRO  15          2HB       PRO  15  -5.246  -3.590  -0.914
   96   2HB   PRO  15          1HB       PRO  15  -5.011  -5.160  -1.650
   97   1HG   PRO  15          2HG       PRO  15  -3.207  -3.660   0.164
   98   2HG   PRO  15          1HG       PRO  15  -3.776  -5.328   0.324
   99   1HD   PRO  15          2HD       PRO  15  -1.386  -4.784  -0.686
  100   2HD   PRO  15          1HD       PRO  15  -2.386  -6.074  -1.382
  101    H    GLN  16           H        GLN  16  -4.821  -1.829  -3.855
  102    HA   GLN  16           HA       GLN  16  -3.194   0.322  -3.400
  103   1HB   GLN  16          2HB       GLN  16  -4.885   0.170  -5.203
  104   2HB   GLN  16          1HB       GLN  16  -6.146   0.466  -4.032
  105   1HG   GLN  16          2HG       GLN  16  -5.761   2.651  -3.959
  106   2HG   GLN  16          1HG       GLN  16  -4.010   2.451  -4.015
  107   1HE2  GLN  16          1HE2      GLN  16  -3.733   1.064  -6.390
  108   2HE2  GLN  16          2HE2      GLN  16  -4.212   2.080  -7.702
  109    H    TYR  17           H        TYR  17  -5.947  -0.728  -1.529
  110    HA   TYR  17           HA       TYR  17  -6.035   1.635   0.013
  111   1HB   TYR  17          2HB       TYR  17  -7.485   0.240   1.575
  112   2HB   TYR  17          1HB       TYR  17  -8.068   0.452  -0.068
  113    HD1  TYR  17           1HD      TYR  17  -6.498  -1.956   2.268
  114    HD2  TYR  17           2HD      TYR  17  -8.378  -1.402  -1.513
  115    HE1  TYR  17           1HE      TYR  17  -6.835  -4.394   2.107
  116    HE2  TYR  17           2HE      TYR  17  -8.723  -3.831  -1.701
  117    HH   TYR  17           HH       TYR  17  -8.922  -5.816   0.099
  118    H    CYS  18           H        CYS  18  -3.909  -1.004   0.131
  119    HA   CYS  18           HA       CYS  18  -3.339  -0.468   2.955
  120   1HB   CYS  18          2HB       CYS  18  -2.209  -2.490   1.046
  121   2HB   CYS  18          1HB       CYS  18  -1.731  -2.330   2.730
  122    H    CYS  19           H        CYS  19  -2.221   0.481  -0.139
  123    HA   CYS  19           HA       CYS  19   0.493   0.904   0.425
  124   1HB   CYS  19          2HB       CYS  19  -0.299   1.014  -1.851
  125   2HB   CYS  19          1HB       CYS  19  -1.258   2.448  -1.484
  126    HA   PRO  20           HA       PRO  20  -0.120   4.272   3.274
  127   1HB   PRO  20          2HB       PRO  20   2.402   4.636   4.070
  128   2HB   PRO  20          1HB       PRO  20   1.496   3.191   4.531
  129   1HG   PRO  20          2HG       PRO  20   3.520   3.531   2.346
  130   2HG   PRO  20          1HG       PRO  20   3.366   2.215   3.525
  131   1HD   PRO  20          2HD       PRO  20   2.410   2.076   0.950
  132   2HD   PRO  20          1HD       PRO  20   1.735   1.158   2.319
  133    H    ALA  21           H        ALA  21  -0.766   5.862   1.892
  134    HA   ALA  21           HA       ALA  21   1.009   7.225   0.133
  135   1HB   ALA  21          1HB       ALA  21  -1.682   8.086   1.177
  136   2HB   ALA  21          2HB       ALA  21  -1.370   7.213  -0.325
  137   3HB   ALA  21          3HB       ALA  21  -0.787   8.866  -0.125
  138    H    LYS  22           H        LYS  22   2.626   8.335   0.801
  139    HA   LYS  22           HA       LYS  22   2.930   9.446   3.382
  140   1HB   LYS  22          2HB       LYS  22   4.448  10.065   0.827
  141   2HB   LYS  22          1HB       LYS  22   4.975  10.506   2.447
  142   1HG   LYS  22          2HG       LYS  22   6.119   8.599   2.394
  143   2HG   LYS  22          1HG       LYS  22   4.568   7.816   2.694
  144   1HD   LYS  22          2HD       LYS  22   5.019   6.669   0.814
  145   2HD   LYS  22          1HD       LYS  22   4.510   8.141  -0.015
  146   1HE   LYS  22          2HE       LYS  22   7.202   8.529   0.678
  147   2HE   LYS  22          1HE       LYS  22   7.094   6.883   0.056
  148   1HZ   LYS  22          1HZ       LYS  22   5.671   8.868  -1.495
  149   2HZ   LYS  22          2HZ       LYS  22   6.673   7.604  -2.008
  150   3HZ   LYS  22          3HZ       LYS  22   7.352   9.059  -1.476
  151    H    ARG  23           H        ARG  23   0.933  10.736   3.632
  152    HA   ARG  23           HA       ARG  23   1.357  13.478   3.177
  153   1HB   ARG  23          2HB       ARG  23   0.847  12.831   0.839
  154   2HB   ARG  23          1HB       ARG  23  -0.719  12.235   1.365
  155   1HG   ARG  23          2HG       ARG  23  -1.586  14.250   1.118
  156   2HG   ARG  23          1HG       ARG  23  -0.432  14.910   2.279
  157   1HD   ARG  23          2HD       ARG  23   1.122  14.647   0.064
  158   2HD   ARG  23          1HD       ARG  23  -0.441  15.027  -0.656
  159    HE   ARG  23           HE       ARG  23   1.076  16.732   1.194
  160   1HH1  ARG  23          1HH1      ARG  23  -1.574  16.324  -1.054
  161   2HH1  ARG  23          2HH1      ARG  23  -1.905  18.018  -1.152
  162   1HH2  ARG  23          1HH2      ARG  23   0.629  18.955   1.061
  163   2HH2  ARG  23          2HH2      ARG  23  -0.658  19.509   0.044
  164    H    LYS  24           H        LYS  24  -0.221  14.790   4.137
  165    HA   LYS  24           HA       LYS  24  -2.758  14.008   5.000
  166   1HB   LYS  24          2HB       LYS  24  -2.388  13.623   7.413
  167   2HB   LYS  24          1HB       LYS  24  -1.668  12.361   6.425
  168   1HG   LYS  24          2HG       LYS  24  -0.046  14.688   7.387
  169   2HG   LYS  24          1HG       LYS  24  -0.337  13.280   8.410
  170   1HD   LYS  24          2HD       LYS  24   0.483  11.938   6.339
  171   2HD   LYS  24          1HD       LYS  24   1.192  13.478   5.846
  172   1HE   LYS  24          2HE       LYS  24   2.925  12.514   7.028
  173   2HE   LYS  24          1HE       LYS  24   2.150  13.505   8.264
  174   1HZ   LYS  24          1HZ       LYS  24   1.550  11.712   9.427
  175   2HZ   LYS  24          2HZ       LYS  24   2.712  10.885   8.519
  176   3HZ   LYS  24          3HZ       LYS  24   1.086  10.833   8.057
  Start of MODEL    9
    1   1H    PRO   1          1HT       PRO   1  -5.677  -8.324   2.717
    2   2H    PRO   1          2HT       PRO   1  -6.982  -8.093   3.692
    3    HA   PRO   1           HA       PRO   1  -5.761  -7.208   5.065
    4   1HB   PRO   1          2HB       PRO   1  -3.985  -9.450   5.706
    5   2HB   PRO   1          1HB       PRO   1  -5.266  -8.726   6.691
    6   1HG   PRO   1          2HG       PRO   1  -5.494 -11.182   5.578
    7   2HG   PRO   1          1HG       PRO   1  -6.882 -10.114   5.849
    8   1HD   PRO   1          2HD       PRO   1  -5.343 -10.612   3.315
    9   2HD   PRO   1          1HD       PRO   1  -7.099 -10.527   3.560
   10    H    CYS   2           H        CYS   2  -3.727  -6.148   5.451
   11    HA   CYS   2           HA       CYS   2  -2.114  -6.055   3.076
   12   1HB   CYS   2          2HB       CYS   2  -1.554  -4.460   5.518
   13   2HB   CYS   2          1HB       CYS   2  -1.304  -4.037   3.845
   14    HA   PRO   3           HA       PRO   3   1.162  -8.544   4.933
   15   1HB   PRO   3          2HB       PRO   3   2.598  -8.869   2.714
   16   2HB   PRO   3          1HB       PRO   3   1.057  -9.708   2.930
   17   1HG   PRO   3          2HG       PRO   3   1.654  -7.226   1.397
   18   2HG   PRO   3          1HG       PRO   3   0.649  -8.600   0.921
   19   1HD   PRO   3          2HD       PRO   3  -0.350  -6.246   1.941
   20   2HD   PRO   3          1HD       PRO   3  -1.166  -7.813   2.079
   21    HA   PRO   4           HA       PRO   4   4.139  -5.626   6.180
   22   1HB   PRO   4          2HB       PRO   4   6.454  -7.201   5.928
   23   2HB   PRO   4          1HB       PRO   4   5.408  -7.078   7.345
   24   1HG   PRO   4          2HG       PRO   4   5.439  -9.129   5.184
   25   2HG   PRO   4          1HG       PRO   4   5.124  -9.325   6.918
   26   1HD   PRO   4          2HD       PRO   4   3.129  -9.362   5.144
   27   2HD   PRO   4          1HD       PRO   4   2.927  -8.577   6.725
   28    H    VAL   5           H        VAL   5   4.755  -7.285   3.096
   29    HA   VAL   5           HA       VAL   5   6.865  -5.531   2.362
   30    HB   VAL   5           HB       VAL   5   6.886  -6.483   0.223
   31   1HG1  VAL   5          1HG1      VAL   5   7.444  -7.927   2.314
   32   2HG1  VAL   5          2HG1      VAL   5   7.409  -8.673   0.716
   33   3HG1  VAL   5          3HG1      VAL   5   6.036  -8.859   1.806
   34   1HG2  VAL   5          1HG2      VAL   5   4.409  -8.059   0.597
   35   2HG2  VAL   5          2HG2      VAL   5   5.213  -7.558  -0.886
   36   3HG2  VAL   5          3HG2      VAL   5   4.306  -6.381   0.060
   37    H    CYS   6           H        CYS   6   3.452  -5.314   2.262
   38    HA   CYS   6           HA       CYS   6   3.368  -3.209   0.307
   39   1HB   CYS   6          2HB       CYS   6   1.304  -4.162   2.297
   40   2HB   CYS   6          1HB       CYS   6   1.019  -3.006   0.986
   41    H    VAL   7           H        VAL   7   3.488  -3.464   3.805
   42    HA   VAL   7           HA       VAL   7   2.886  -0.802   4.400
   43    HB   VAL   7           HB       VAL   7   4.214  -3.030   5.940
   44   1HG1  VAL   7          1HG1      VAL   7   3.410  -1.105   7.780
   45   2HG1  VAL   7          2HG1      VAL   7   4.289  -0.201   6.546
   46   3HG1  VAL   7          3HG1      VAL   7   5.066  -1.552   7.373
   47   1HG2  VAL   7          1HG2      VAL   7   1.753  -1.906   6.938
   48   2HG2  VAL   7          2HG2      VAL   7   2.191  -3.579   6.569
   49   3HG2  VAL   7          3HG2      VAL   7   1.617  -2.513   5.285
   50    H    ALA   8           H        ALA   8   5.864  -2.571   3.891
   51    HA   ALA   8           HA       ALA   8   7.475  -0.205   4.267
   52   1HB   ALA   8          1HB       ALA   8   8.306  -2.285   5.106
   53   2HB   ALA   8          2HB       ALA   8   9.331  -1.791   3.756
   54   3HB   ALA   8          3HB       ALA   8   8.111  -3.049   3.530
   55    H    GLN   9           H        GLN   9   6.072  -1.916   1.527
   56    HA   GLN   9           HA       GLN   9   7.277   0.100  -0.198
   57   1HB   GLN   9          2HB       GLN   9   7.282  -2.797  -1.003
   58   2HB   GLN   9          1HB       GLN   9   8.056  -1.451  -1.820
   59   1HG   GLN   9          2HG       GLN   9   9.783  -1.348  -0.301
   60   2HG   GLN   9          1HG       GLN   9   8.874  -2.190   0.948
   61   1HE2  GLN   9          1HE2      GLN   9   8.313  -4.478   0.438
   62   2HE2  GLN   9          2HE2      GLN   9   9.512  -5.429  -0.363
   63    H    CYS  10           H        CYS  10   5.927   0.841  -1.739
   64    HA   CYS  10           HA       CYS  10   3.264  -0.299  -1.870
   65   1HB   CYS  10          2HB       CYS  10   3.789   2.207  -1.723
   66   2HB   CYS  10          1HB       CYS  10   4.309   2.090  -3.400
   67    H    VAL  11           H        VAL  11   4.258  -2.295  -2.867
   68    HA   VAL  11           HA       VAL  11   5.221  -2.075  -5.550
   69    HB   VAL  11           HB       VAL  11   4.856  -4.669  -5.443
   70   1HG1  VAL  11          1HG1      VAL  11   7.021  -3.819  -5.611
   71   2HG1  VAL  11          2HG1      VAL  11   7.046  -4.817  -4.159
   72   3HG1  VAL  11          3HG1      VAL  11   6.942  -3.063  -4.020
   73   1HG2  VAL  11          1HG2      VAL  11   5.218  -4.249  -2.505
   74   2HG2  VAL  11          2HG2      VAL  11   4.668  -5.677  -3.385
   75   3HG2  VAL  11          3HG2      VAL  11   3.598  -4.296  -3.198
   76    HA   PRO  12           HA       PRO  12   1.549  -2.407  -7.852
   77   1HB   PRO  12          2HB       PRO  12   2.542  -4.668  -9.444
   78   2HB   PRO  12          1HB       PRO  12   2.192  -3.012  -9.946
   79   1HG   PRO  12          2HG       PRO  12   4.712  -3.951  -9.751
   80   2HG   PRO  12          1HG       PRO  12   4.300  -2.261  -9.406
   81   1HD   PRO  12          2HD       PRO  12   4.830  -4.510  -7.501
   82   2HD   PRO  12          1HD       PRO  12   5.315  -2.807  -7.397
   83    H    THR  13           H        THR  13   2.643  -5.391  -6.424
   84    HA   THR  13           HA       THR  13   0.216  -6.798  -7.008
   85    HB   THR  13           HB       THR  13   1.213  -8.403  -5.224
   86    HG1  THR  13           1HG      THR  13   2.730  -6.592  -4.606
   87   1HG2  THR  13          1HG2      THR  13   2.776  -7.885  -7.738
   88   2HG2  THR  13          2HG2      THR  13   1.315  -8.865  -7.622
   89   3HG2  THR  13          3HG2      THR  13   2.783  -9.367  -6.784
   90    H    CYS  14           H        CYS  14   1.326  -4.664  -4.589
   91    HA   CYS  14           HA       CYS  14  -0.333  -5.528  -2.481
   92   1HB   CYS  14          2HB       CYS  14   1.183  -3.032  -3.102
   93   2HB   CYS  14          1HB       CYS  14   0.173  -3.149  -1.663
   94    HA   PRO  15           HA       PRO  15  -4.295  -3.705  -3.445
   95   1HB   PRO  15          2HB       PRO  15  -5.260  -3.514  -0.949
   96   2HB   PRO  15          1HB       PRO  15  -5.044  -5.071  -1.715
   97   1HG   PRO  15          2HG       PRO  15  -3.237  -3.639   0.152
   98   2HG   PRO  15          1HG       PRO  15  -3.840  -5.299   0.275
   99   1HD   PRO  15          2HD       PRO  15  -1.428  -4.783  -0.699
  100   2HD   PRO  15          1HD       PRO  15  -2.443  -6.042  -1.427
  101    H    GLN  16           H        GLN  16  -4.773  -1.703  -3.848
  102    HA   GLN  16           HA       GLN  16  -3.127   0.423  -3.338
  103   1HB   GLN  16          2HB       GLN  16  -4.811   0.316  -5.153
  104   2HB   GLN  16          1HB       GLN  16  -6.073   0.616  -3.983
  105   1HG   GLN  16          2HG       GLN  16  -5.726   2.786  -4.017
  106   2HG   GLN  16          1HG       GLN  16  -3.986   2.589  -3.801
  107   1HE2  GLN  16          1HE2      GLN  16  -3.326   1.199  -6.075
  108   2HE2  GLN  16          2HE2      GLN  16  -3.600   2.192  -7.461
  109    H    TYR  17           H        TYR  17  -5.903  -0.625  -1.504
  110    HA   TYR  17           HA       TYR  17  -5.973   1.714   0.075
  111   1HB   TYR  17          2HB       TYR  17  -7.444   0.316   1.611
  112   2HB   TYR  17          1HB       TYR  17  -8.019   0.547  -0.033
  113    HD1  TYR  17           1HD      TYR  17  -6.484  -1.896   2.289
  114    HD2  TYR  17           2HD      TYR  17  -8.331  -1.284  -1.500
  115    HE1  TYR  17           1HE      TYR  17  -6.834  -4.331   2.100
  116    HE2  TYR  17           2HE      TYR  17  -8.690  -3.709  -1.720
  117    HH   TYR  17           HH       TYR  17  -8.256  -5.735  -0.846
  118    H    CYS  18           H        CYS  18  -3.896  -0.973   0.159
  119    HA   CYS  18           HA       CYS  18  -3.327  -0.482   2.990
  120   1HB   CYS  18          2HB       CYS  18  -2.234  -2.503   1.056
  121   2HB   CYS  18          1HB       CYS  18  -1.732  -2.357   2.731
  122    H    CYS  19           H        CYS  19  -2.185   0.476  -0.091
  123    HA   CYS  19           HA       CYS  19   0.527   0.878   0.494
  124   1HB   CYS  19          2HB       CYS  19  -0.261   0.993  -1.791
  125   2HB   CYS  19          1HB       CYS  19  -1.205   2.438  -1.426
  126    HA   PRO  20           HA       PRO  20  -0.070   4.238   3.343
  127   1HB   PRO  20          2HB       PRO  20   2.485   4.720   4.003
  128   2HB   PRO  20          1HB       PRO  20   1.645   3.266   4.553
  129   1HG   PRO  20          2HG       PRO  20   3.564   3.593   2.276
  130   2HG   PRO  20          1HG       PRO  20   3.477   2.297   3.483
  131   1HD   PRO  20          2HD       PRO  20   2.440   2.093   0.950
  132   2HD   PRO  20          1HD       PRO  20   1.823   1.188   2.355
  133    H    ALA  21           H        ALA  21  -0.866   5.754   1.976
  134    HA   ALA  21           HA       ALA  21   1.027   7.515   0.567
  135   1HB   ALA  21          1HB       ALA  21  -0.971   8.384  -0.565
  136   2HB   ALA  21          2HB       ALA  21  -1.950   7.187   0.284
  137   3HB   ALA  21          3HB       ALA  21  -0.708   6.666  -0.856
  138    H    LYS  22           H        LYS  22   1.627   9.191   1.683
  139    HA   LYS  22           HA       LYS  22   0.252  10.130   4.004
  140   1HB   LYS  22          2HB       LYS  22   2.569  11.280   2.425
  141   2HB   LYS  22          1HB       LYS  22   1.879  12.120   3.804
  142   1HG   LYS  22          2HG       LYS  22   2.566   9.307   4.298
  143   2HG   LYS  22          1HG       LYS  22   3.930  10.370   3.949
  144   1HD   LYS  22          2HD       LYS  22   2.127  11.668   5.766
  145   2HD   LYS  22          1HD       LYS  22   2.545  10.068   6.382
  146   1HE   LYS  22          2HE       LYS  22   4.606  10.722   6.917
  147   2HE   LYS  22          1HE       LYS  22   4.864  11.441   5.328
  148   1HZ   LYS  22          1HZ       LYS  22   4.889  13.347   6.472
  149   2HZ   LYS  22          2HZ       LYS  22   4.096  12.692   7.814
  150   3HZ   LYS  22          3HZ       LYS  22   3.203  13.209   6.475
  151    H    ARG  23           H        ARG  23  -1.926  10.495   3.140
  152    HA   ARG  23           HA       ARG  23  -2.483  13.187   2.653
  153   1HB   ARG  23          2HB       ARG  23  -1.494  12.821   0.450
  154   2HB   ARG  23          1HB       ARG  23  -2.569  11.457   0.173
  155   1HG   ARG  23          2HG       ARG  23  -4.492  13.044   0.353
  156   2HG   ARG  23          1HG       ARG  23  -3.318  14.361   0.394
  157   1HD   ARG  23          2HD       ARG  23  -2.783  12.550  -1.792
  158   2HD   ARG  23          1HD       ARG  23  -4.434  13.162  -1.865
  159    HE   ARG  23           HE       ARG  23  -2.591  15.264  -1.378
  160   1HH1  ARG  23          1HH1      ARG  23  -3.782  13.171  -3.905
  161   2HH1  ARG  23          2HH1      ARG  23  -3.431  14.295  -5.174
  162   1HH2  ARG  23          1HH2      ARG  23  -2.127  16.743  -3.046
  163   2HH2  ARG  23          2HH2      ARG  23  -2.492  16.325  -4.686
  164    H    LYS  24           H        LYS  24  -4.727  13.609   2.576
  165    HA   LYS  24           HA       LYS  24  -6.743  11.724   2.136
  166   1HB   LYS  24          2HB       LYS  24  -7.400  11.584   4.695
  167   2HB   LYS  24          1HB       LYS  24  -6.332  10.402   3.957
  168   1HG   LYS  24          2HG       LYS  24  -5.613  11.234   6.196
  169   2HG   LYS  24          1HG       LYS  24  -4.409  11.409   4.921
  170   1HD   LYS  24          2HD       LYS  24  -5.319  13.790   4.649
  171   2HD   LYS  24          1HD       LYS  24  -6.120  13.526   6.197
  172   1HE   LYS  24          2HE       LYS  24  -4.202  13.700   7.355
  173   2HE   LYS  24          1HE       LYS  24  -3.281  12.798   6.152
  174   1HZ   LYS  24          1HZ       LYS  24  -3.639  14.996   4.791
  175   2HZ   LYS  24          2HZ       LYS  24  -2.371  14.851   5.900
  176   3HZ   LYS  24          3HZ       LYS  24  -3.782  15.675   6.334
  Start of MODEL   10
    1   1H    PRO   1          1HT       PRO   1  -5.684  -8.468   2.698
    2   2H    PRO   1          2HT       PRO   1  -6.983  -8.274   3.688
    3    HA   PRO   1           HA       PRO   1  -5.773  -7.289   5.003
    4   1HB   PRO   1          2HB       PRO   1  -3.949  -9.448   5.750
    5   2HB   PRO   1          1HB       PRO   1  -5.279  -8.743   6.682
    6   1HG   PRO   1          2HG       PRO   1  -5.374 -11.242   5.639
    7   2HG   PRO   1          1HG       PRO   1  -6.812 -10.234   5.868
    8   1HD   PRO   1          2HD       PRO   1  -5.220 -10.720   3.365
    9   2HD   PRO   1          1HD       PRO   1  -6.981 -10.720   3.589
   10    H    CYS   2           H        CYS   2  -3.771  -6.181   5.358
   11    HA   CYS   2           HA       CYS   2  -2.151  -6.073   2.999
   12   1HB   CYS   2          2HB       CYS   2  -1.566  -4.525   5.468
   13   2HB   CYS   2          1HB       CYS   2  -1.341  -4.065   3.800
   14    HA   PRO   3           HA       PRO   3   1.147  -8.585   4.796
   15   1HB   PRO   3          2HB       PRO   3   2.592  -8.842   2.570
   16   2HB   PRO   3          1HB       PRO   3   1.055  -9.699   2.763
   17   1HG   PRO   3          2HG       PRO   3   1.637  -7.174   1.297
   18   2HG   PRO   3          1HG       PRO   3   0.643  -8.542   0.783
   19   1HD   PRO   3          2HD       PRO   3  -0.375  -6.221   1.860
   20   2HD   PRO   3          1HD       PRO   3  -1.181  -7.795   1.959
   21    HA   PRO   4           HA       PRO   4   4.112  -5.678   6.126
   22   1HB   PRO   4          2HB       PRO   4   6.431  -7.245   5.840
   23   2HB   PRO   4          1HB       PRO   4   5.387  -7.150   7.259
   24   1HG   PRO   4          2HG       PRO   4   5.422  -9.162   5.064
   25   2HG   PRO   4          1HG       PRO   4   5.098  -9.386   6.794
   26   1HD   PRO   4          2HD       PRO   4   3.115  -9.393   5.003
   27   2HD   PRO   4          1HD       PRO   4   2.901  -8.643   6.601
   28    H    VAL   5           H        VAL   5   4.733  -7.269   3.008
   29    HA   VAL   5           HA       VAL   5   6.838  -5.501   2.308
   30    HB   VAL   5           HB       VAL   5   6.869  -6.409   0.157
   31   1HG1  VAL   5          1HG1      VAL   5   7.143  -7.977   2.350
   32   2HG1  VAL   5          2HG1      VAL   5   7.557  -8.474   0.709
   33   3HG1  VAL   5          3HG1      VAL   5   5.993  -8.914   1.396
   34   1HG2  VAL   5          1HG2      VAL   5   4.268  -6.282   0.001
   35   2HG2  VAL   5          2HG2      VAL   5   4.391  -7.994   0.419
   36   3HG2  VAL   5          3HG2      VAL   5   5.196  -7.379  -1.020
   37    H    CYS   6           H        CYS   6   3.423  -5.279   2.230
   38    HA   CYS   6           HA       CYS   6   3.343  -3.133   0.322
   39   1HB   CYS   6          2HB       CYS   6   1.266  -4.123   2.282
   40   2HB   CYS   6          1HB       CYS   6   0.987  -2.955   0.982
   41    H    VAL   7           H        VAL   7   3.445  -3.456   3.812
   42    HA   VAL   7           HA       VAL   7   2.845  -0.805   4.451
   43    HB   VAL   7           HB       VAL   7   4.161  -3.059   5.960
   44   1HG1  VAL   7          1HG1      VAL   7   4.303  -0.267   6.606
   45   2HG1  VAL   7          2HG1      VAL   7   4.933  -1.652   7.499
   46   3HG1  VAL   7          3HG1      VAL   7   3.283  -1.099   7.780
   47   1HG2  VAL   7          1HG2      VAL   7   1.528  -2.375   5.335
   48   2HG2  VAL   7          2HG2      VAL   7   1.740  -2.086   7.064
   49   3HG2  VAL   7          3HG2      VAL   7   2.116  -3.671   6.379
   50    H    ALA   8           H        ALA   8   5.821  -2.572   3.928
   51    HA   ALA   8           HA       ALA   8   7.439  -0.215   4.350
   52   1HB   ALA   8          1HB       ALA   8   8.191  -2.383   5.146
   53   2HB   ALA   8          2HB       ALA   8   9.300  -1.762   3.923
   54   3HB   ALA   8          3HB       ALA   8   8.134  -3.019   3.502
   55    H    GLN   9           H        GLN   9   6.044  -1.875   1.582
   56    HA   GLN   9           HA       GLN   9   7.250   0.151  -0.123
   57   1HB   GLN   9          2HB       GLN   9   7.303  -2.680  -1.080
   58   2HB   GLN   9          1HB       GLN   9   8.275  -1.310  -1.606
   59   1HG   GLN   9          2HG       GLN   9   9.310  -1.414   0.739
   60   2HG   GLN   9          1HG       GLN   9   8.594  -3.021   0.823
   61   1HE2  GLN   9          1HE2      GLN   9   9.191  -4.543  -0.890
   62   2HE2  GLN   9          2HE2      GLN   9  10.777  -4.449  -1.568
   63    H    CYS  10           H        CYS  10   5.922   0.832  -1.723
   64    HA   CYS  10           HA       CYS  10   3.282  -0.366  -1.864
   65   1HB   CYS  10          2HB       CYS  10   3.739   2.145  -1.713
   66   2HB   CYS  10          1HB       CYS  10   4.272   2.046  -3.389
   67    H    VAL  11           H        VAL  11   4.177  -2.355  -2.888
   68    HA   VAL  11           HA       VAL  11   5.165  -2.122  -5.572
   69    HB   VAL  11           HB       VAL  11   4.823  -4.707  -5.478
   70   1HG1  VAL  11          1HG1      VAL  11   6.955  -3.470  -5.502
   71   2HG1  VAL  11          2HG1      VAL  11   7.014  -4.954  -4.551
   72   3HG1  VAL  11          3HG1      VAL  11   6.889  -3.391  -3.740
   73   1HG2  VAL  11          1HG2      VAL  11   5.136  -4.312  -2.533
   74   2HG2  VAL  11          2HG2      VAL  11   4.620  -5.740  -3.434
   75   3HG2  VAL  11          3HG2      VAL  11   3.528  -4.374  -3.255
   76    HA   PRO  12           HA       PRO  12   1.461  -2.471  -7.831
   77   1HB   PRO  12          2HB       PRO  12   2.447  -4.742  -9.416
   78   2HB   PRO  12          1HB       PRO  12   2.071  -3.096  -9.930
   79   1HG   PRO  12          2HG       PRO  12   4.603  -3.989  -9.773
   80   2HG   PRO  12          1HG       PRO  12   4.174  -2.307  -9.406
   81   1HD   PRO  12          2HD       PRO  12   4.744  -4.570  -7.525
   82   2HD   PRO  12          1HD       PRO  12   5.236  -2.867  -7.421
   83    H    THR  13           H        THR  13   2.578  -5.438  -6.381
   84    HA   THR  13           HA       THR  13   0.158  -6.871  -6.941
   85    HB   THR  13           HB       THR  13   1.168  -8.448  -5.142
   86    HG1  THR  13           1HG      THR  13   2.701  -6.517  -4.652
   87   1HG2  THR  13          1HG2      THR  13   3.199  -8.336  -7.210
   88   2HG2  THR  13          2HG2      THR  13   1.555  -8.305  -7.847
   89   3HG2  THR  13          3HG2      THR  13   2.066  -9.624  -6.793
   90    H    CYS  14           H        CYS  14   1.261  -4.703  -4.560
   91    HA   CYS  14           HA       CYS  14  -0.360  -5.517  -2.416
   92   1HB   CYS  14          2HB       CYS  14   1.073  -2.996  -3.143
   93   2HB   CYS  14          1HB       CYS  14   0.096  -3.107  -1.679
   94    HA   PRO  15           HA       PRO  15  -4.380  -3.807  -3.395
   95   1HB   PRO  15          2HB       PRO  15  -5.318  -3.567  -0.894
   96   2HB   PRO  15          1HB       PRO  15  -5.082  -5.145  -1.618
   97   1HG   PRO  15          2HG       PRO  15  -3.278  -3.629   0.185
   98   2HG   PRO  15          1HG       PRO  15  -3.848  -5.294   0.363
   99   1HD   PRO  15          2HD       PRO  15  -1.457  -4.764  -0.658
  100   2HD   PRO  15          1HD       PRO  15  -2.460  -6.061  -1.335
  101    H    GLN  16           H        GLN  16  -4.884  -1.809  -3.835
  102    HA   GLN  16           HA       GLN  16  -3.250   0.333  -3.378
  103   1HB   GLN  16          2HB       GLN  16  -4.941   0.164  -5.180
  104   2HB   GLN  16          1HB       GLN  16  -6.200   0.485  -4.014
  105   1HG   GLN  16          2HG       GLN  16  -5.881   2.539  -4.934
  106   2HG   GLN  16          1HG       GLN  16  -4.853   2.621  -3.507
  107   1HE2  GLN  16          1HE2      GLN  16  -4.331   1.100  -6.666
  108   2HE2  GLN  16          2HE2      GLN  16  -2.899   1.986  -7.050
  109    H    TYR  17           H        TYR  17  -6.010  -0.700  -1.505
  110    HA   TYR  17           HA       TYR  17  -6.081   1.667   0.037
  111   1HB   TYR  17          2HB       TYR  17  -7.539   0.280   1.600
  112   2HB   TYR  17          1HB       TYR  17  -8.123   0.491  -0.043
  113    HD1  TYR  17           1HD      TYR  17  -8.435  -1.357  -1.485
  114    HD2  TYR  17           2HD      TYR  17  -6.559  -1.922   2.293
  115    HE1  TYR  17           1HE      TYR  17  -8.787  -3.784  -1.678
  116    HE2  TYR  17           2HE      TYR  17  -6.891  -4.360   2.125
  117    HH   TYR  17           HH       TYR  17  -8.645  -5.877   0.780
  118    H    CYS  18           H        CYS  18  -3.972  -0.983   0.155
  119    HA   CYS  18           HA       CYS  18  -3.415  -0.458   2.986
  120   1HB   CYS  18          2HB       CYS  18  -2.294  -2.490   1.077
  121   2HB   CYS  18          1HB       CYS  18  -1.804  -2.325   2.757
  122    H    CYS  19           H        CYS  19  -2.272   0.476  -0.102
  123    HA   CYS  19           HA       CYS  19   0.439   0.884   0.496
  124   1HB   CYS  19          2HB       CYS  19  -0.324   0.939  -1.796
  125   2HB   CYS  19          1HB       CYS  19  -1.265   2.396  -1.482
  126    HA   PRO  20           HA       PRO  20  -0.178   4.342   3.232
  127   1HB   PRO  20          2HB       PRO  20   2.351   4.746   4.006
  128   2HB   PRO  20          1HB       PRO  20   1.451   3.315   4.525
  129   1HG   PRO  20          2HG       PRO  20   3.467   3.581   2.322
  130   2HG   PRO  20          1HG       PRO  20   3.315   2.305   3.543
  131   1HD   PRO  20          2HD       PRO  20   2.360   2.084   0.977
  132   2HD   PRO  20          1HD       PRO  20   1.689   1.206   2.374
  133    H    ALA  21           H        ALA  21  -0.839   5.888   1.815
  134    HA   ALA  21           HA       ALA  21   1.048   7.285   0.124
  135   1HB   ALA  21          1HB       ALA  21  -0.830   8.604  -0.603
  136   2HB   ALA  21          2HB       ALA  21  -1.848   7.898   0.652
  137   3HB   ALA  21          3HB       ALA  21  -1.232   6.887  -0.657
  138    H    LYS  22           H        LYS  22   2.378   8.653   1.016
  139    HA   LYS  22           HA       LYS  22   1.649  10.130   3.418
  140   1HB   LYS  22          2HB       LYS  22   4.247  10.037   1.859
  141   2HB   LYS  22          1HB       LYS  22   4.016  10.946   3.346
  142   1HG   LYS  22          2HG       LYS  22   3.162   8.417   4.021
  143   2HG   LYS  22          1HG       LYS  22   4.536   8.119   2.955
  144   1HD   LYS  22          2HD       LYS  22   5.651   9.998   4.427
  145   2HD   LYS  22          1HD       LYS  22   4.438   9.483   5.602
  146   1HE   LYS  22          2HE       LYS  22   5.511   7.118   4.607
  147   2HE   LYS  22          1HE       LYS  22   6.897   8.191   4.792
  148   1HZ   LYS  22          1HZ       LYS  22   6.861   7.652   6.929
  149   2HZ   LYS  22          2HZ       LYS  22   5.373   6.858   6.791
  150   3HZ   LYS  22          3HZ       LYS  22   5.419   8.524   7.082
  151    H    ARG  23           H        ARG  23  -0.060  11.510   2.403
  152    HA   ARG  23           HA       ARG  23   0.823  14.084   1.852
  153   1HB   ARG  23          2HB       ARG  23   1.633  12.962  -0.286
  154   2HB   ARG  23          1HB       ARG  23  -0.058  12.740  -0.706
  155   1HG   ARG  23          2HG       ARG  23  -0.351  14.907  -1.236
  156   2HG   ARG  23          1HG       ARG  23   0.721  15.478   0.043
  157   1HD   ARG  23          2HD       ARG  23   2.254  14.041  -1.892
  158   2HD   ARG  23          1HD       ARG  23   1.261  15.239  -2.715
  159    HE   ARG  23           HE       ARG  23   3.171  15.852  -0.556
  160   1HH1  ARG  23          1HH1      ARG  23   1.446  16.771  -3.457
  161   2HH1  ARG  23          2HH1      ARG  23   2.224  18.310  -3.573
  162   1HH2  ARG  23          1HH2      ARG  23   4.187  17.876  -0.719
  163   2HH2  ARG  23          2HH2      ARG  23   3.780  18.938  -2.025
  164    H    LYS  24           H        LYS  24  -0.975  15.480   0.896
  165    HA   LYS  24           HA       LYS  24  -3.616  14.534   0.681
  166   1HB   LYS  24          2HB       LYS  24  -4.594  15.378   2.779
  167   2HB   LYS  24          1HB       LYS  24  -3.479  14.054   3.069
  168   1HG   LYS  24          2HG       LYS  24  -2.565  16.899   3.302
  169   2HG   LYS  24          1HG       LYS  24  -3.433  16.113   4.620
  170   1HD   LYS  24          2HD       LYS  24  -0.870  15.135   3.363
  171   2HD   LYS  24          1HD       LYS  24  -1.016  15.937   4.926
  172   1HE   LYS  24          2HE       LYS  24  -2.059  13.232   4.120
  173   2HE   LYS  24          1HE       LYS  24  -0.873  13.612   5.368
  174   1HZ   LYS  24          1HZ       LYS  24  -2.957  15.010   6.236
  175   2HZ   LYS  24          2HZ       LYS  24  -2.662  13.408   6.695
  176   3HZ   LYS  24          3HZ       LYS  24  -3.772  13.744   5.463